Synonyms
UNII DY38VHM5OD
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key SUKJFIGYRHOWBL-UHFFFAOYSA-N
Smiles [Na+].[O-]Cl
InChI
InChI=1S/ClO.Na/c1-2;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula ClNaO
Molecular Weight 74.44
AlogP 0.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 2.0
Assay Description Organism Bioactivity Reference
Antiviral activity against Carnation Italian ringspot virus infected compound-treated sap in Saponaria vaccaria at 7% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation Italian ringspot virus None
Antiviral activity against Carnation Italian ringspot virus infected as compound-treated sap in Saponaria vaccaria at 5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation Italian ringspot virus None
Antiviral activity against Carnation Italian ringspot virus infected as compound-treated sap in Saponaria vaccaria at 3% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation Italian ringspot virus None
Antiviral activity against Carnation Italian ringspot virus infected as compound-treated sap in Saponaria vaccaria at 1% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation Italian ringspot virus None
Antiviral activity against Carnation Italian ringspot virus infected as compound-treated sap in Saponaria vaccaria at 0.5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation Italian ringspot virus None
Antiviral activity against Carnation ringspot virus infected compound-treated sap in Saponaria vaccaria at 7% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation ringspot virus None
Antiviral activity against Carnation ringspot virus infected compound-treated sap in Saponaria vaccaria at 5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation ringspot virus None
Antiviral activity against Carnation ringspot virus infected compound-treated sap in Saponaria vaccaria at 3% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation ringspot virus None
Antiviral activity against Carnation ringspot virus infected compound-treated sap in Saponaria vaccaria at 1% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation ringspot virus None
Antiviral activity against Carnation ringspot virus infected compound-treated sap in Saponaria vaccaria at 0.5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation ringspot virus None
Antiviral activity against Carnation vein mottle virus infected compound-treated sap in Saponaria vaccaria at 7% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation vein mottle virus None
Antiviral activity against Carnation vein mottle virus infected compound-treated sap in Saponaria vaccaria at 5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation vein mottle virus None
Antiviral activity against Carnation vein mottle virus infected compound-treated sap in Saponaria vaccaria at 3% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation vein mottle virus None
Antiviral activity against Carnation vein mottle virus infected compound-treated sap in Saponaria vaccaria at 1% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation vein mottle virus None
Antiviral activity against Carnation vein mottle virus infected compound-treated sap in Saponaria vaccaria at 0.5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation vein mottle virus None
Antiviral activity against Carnation latent virus infected compound-treated sap in Saponaria vaccaria at 7% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation latent virus None
Antiviral activity against Carnation latent virus infected compound-treated sap in Saponaria vaccaria at 5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation latent virus None
Antiviral activity against Carnation latent virus infected compound-treated sap in Saponaria vaccaria at 3% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation latent virus None
Antiviral activity against Carnation latent virus infected compound-treated sap in Saponaria vaccaria at 1% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation latent virus None
Antiviral activity against Carnation latent virus infected compound-treated sap in Saponaria vaccaria at 0.5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation latent virus None
Antiviral activity against Carnation etched ring virus infected compound-treated sap in Saponaria vaccaria at 7% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation etched ring virus None
Antiviral activity against Carnation etched ring virus infected compound-treated sap in Saponaria vaccaria at 5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation etched ring virus None
Antiviral activity against Carnation etched ring virus infected compound-treated sap in Saponaria vaccaria at 3% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation etched ring virus None
Antiviral activity against Carnation etched ring virus infected compound-treated sap in Saponaria vaccaria at 1% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation etched ring virus None
Antiviral activity against Carnation etched ring virus infected compound-treated sap in Saponaria vaccaria at 0.5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation etched ring virus None
Antiviral activity against Carnation mottle virus infected compound-treated sap in Saponaria vaccaria at 7% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation mottle virus None
Antiviral activity against Carnation mottle virus infected compound-treated sap in Saponaria vaccaria at 5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation mottle virus None
Antiviral activity against Carnation mottle virus infected compound-treated sap in Saponaria vaccaria at 3% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation mottle virus None
Antiviral activity against Carnation mottle virus infected compound-treated sap in Saponaria vaccaria at 1% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation mottle virus None
Antiviral activity against Carnation mottle virus infected compound-treated sap in Saponaria vaccaria at 0.5% incubated for 60 secs prior to inoculation measured after 6 weeks in green house conditions by non-isotopic molecular hybridisation assay Carnation mottle virus None
Phytotoxicity against Musa acuminata AAA Group (Cavendish banana) assessed as skin burn incubated for 15 min followed by compound washout measured after 1 to 3 weeks in presence of surfactant APSA 80 relative to control Musa acuminata AAA Group None
Phytotoxicity against Musa acuminata AAA Group (Cavendish banana) assessed as discoloration incubated for 15 min followed by compound washout measured after 1 to 3 weeks in presence of surfactant APSA 80 relative to control Musa acuminata AAA Group None
Antifungal activity against Fusarium verticillioides infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in presence of surfactant APSA 80 relative to control Fusarium verticillioides 47.0 %
Antifungal activity against Colletotrichum musae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in presence of surfactant APSA 80 relative to control Colletotrichum musae 47.0 %
Antifungal activity against Ceratocystis paradoxa infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in presence of surfactant APSA 80 relative to control Ceratocystis paradoxa 47.0 %
Antifungal activity against Lasiodiplodia theobromae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in presence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 47.0 %
Antifungal activity against Fusarium verticillioides infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in absence of surfactant APSA 80 relative to control Fusarium verticillioides 61.0 %
Antifungal activity against Colletotrichum musae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in absence of surfactant APSA 80 relative to control Colletotrichum musae 61.0 %
Antifungal activity against Ceratocystis paradoxa infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in absence of surfactant APSA 80 relative to control Ceratocystis paradoxa 61.0 %
Antifungal activity against Lasiodiplodia theobromae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 3 weeks in absence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 61.0 %
Antifungal activity against Fusarium verticillioides infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in presence of surfactant APSA 80 relative to control Fusarium verticillioides 50.0 %
Antifungal activity against Colletotrichum musae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in presence of surfactant APSA 80 relative to control Colletotrichum musae 50.0 %
Antifungal activity against Ceratocystis paradoxa infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in presence of surfactant APSA 80 relative to control Ceratocystis paradoxa 50.0 %
Antifungal activity against Lasiodiplodia theobromae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in presence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 50.0 %
Antifungal activity against Fusarium verticillioides infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in absence of surfactant APSA 80 relative to control Fusarium verticillioides 50.0 %
Antifungal activity against Colletotrichum musae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in absence of surfactant APSA 80 relative to control Colletotrichum musae 50.0 %
Antifungal activity against Ceratocystis paradoxa infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in absence of surfactant APSA 80 relative to control Ceratocystis paradoxa 50.0 %
Antifungal activity against Lasiodiplodia theobromae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 2 weeks in absence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 50.0 %
Antifungal activity against Fusarium verticillioides infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in presence of surfactant APSA 80 relative to control Fusarium verticillioides 0.0 %
Antifungal activity against Colletotrichum musae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in presence of surfactant APSA 80 relative to control Colletotrichum musae 0.0 %
Antifungal activity against Ceratocystis paradoxa infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in presence of surfactant APSA 80 relative to control Ceratocystis paradoxa 0.0 %
Antifungal activity against Lasiodiplodia theobromae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in presence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 0.0 %
Antifungal activity against Fusarium verticillioides infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in absence of surfactant APSA 80 relative to control Fusarium verticillioides 0.0 %
Antifungal activity against Colletotrichum musae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in absence of surfactant APSA 80 relative to control Colletotrichum musae 0.0 %
Antifungal activity against Ceratocystis paradoxa infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in absence of surfactant APSA 80 relative to control Ceratocystis paradoxa 0.0 %
Antifungal activity against Lasiodiplodia theobromae infected Cavendish banana fruit assessed as reduction in crown rot incubated for 15 min followed by compound washout measured after 1 week in absence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 0.0 %
Antifungal activity against Fusarium verticillioides assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 relative to control Fusarium verticillioides 0.0 %
Antifungal activity against Colletotrichum musae assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 relative to control Colletotrichum musae 13.0 %
Antifungal activity against Ceratocystis paradoxa assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 relative to control Ceratocystis paradoxa 18.0 %
Antifungal activity against Lasiodiplodia theobromae assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 40.0 %
Antifungal activity against Fusarium verticillioides assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in presence of surfactant APSA 80 relative to control Fusarium verticillioides 51.0 %
Antifungal activity against Colletotrichum musae assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in presence of surfactant APSA 80 relative to control Colletotrichum musae 78.0 %
Antifungal activity against Ceratocystis paradoxa assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in presence of surfactant APSA 80 relative to control Ceratocystis paradoxa 67.0 %
Antifungal activity against Lasiodiplodia theobromae assessed as reduction in colony diameter at 10 to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in presence of surfactant APSA 80 relative to control Lasiodiplodia theobromae 92.0 %
Antifungal activity against Fusarium verticillioides assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 7 days by microscopic analysis in presence of surfactant APSA 80 Fusarium verticillioides None
Antifungal activity against Colletotrichum musae assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 7 days by microscopic analysis in presence of surfactant APSA 80 Colletotrichum musae None
Antifungal activity against Ceratocystis paradoxa assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 7 days by microscopic analysis in presence of surfactant APSA 80 Ceratocystis paradoxa None
Antifungal activity against Lasiodiplodia theobromae assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 7 days by microscopic analysis in presence of surfactant APSA 80 Lasiodiplodia theobromae None
Antifungal activity against Fusarium verticillioides assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 2 days by microscopic analysis in absence of surfactant APSA 80 Fusarium verticillioides None
Antifungal activity against Colletotrichum musae assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 2 days by microscopic analysis in absence of surfactant APSA 80 Colletotrichum musae None
Antifungal activity against Ceratocystis paradoxa assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 2 days by microscopic analysis in absence of surfactant APSA 80 Ceratocystis paradoxa None
Antifungal activity against Lasiodiplodia theobromae assessed as inhibition of conidium germination at 5 g/l incubated for 15 min followed by compound washout measured after 2 days by microscopic analysis in absence of surfactant APSA 80 Lasiodiplodia theobromae None
Growth inhibition of Fusarium verticillioides assessed as inhibition of mycelial growth up to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 Fusarium verticillioides 50.0 g/L
Growth inhibition of Fusarium verticillioides assessed as concentration required for inhibition of mycelial growth incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 Fusarium verticillioides 70.0 g/L
Growth inhibition of Colletotrichum musae assessed as inhibition of mycelial growth up to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 Colletotrichum musae 30.0 g/L
Growth inhibition of Colletotrichum musae assessed as concentration required for inhibition of mycelial growth incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 Colletotrichum musae 50.0 g/L
Growth inhibition of Ceratocystis paradoxa assessed as inhibition of mycelial growth up to 160 g/l incubated for 15 min followed by compound washout measured after 7 days in presence of surfactant APSA 80 Ceratocystis paradoxa 90.0 g/L
Growth inhibition of Ceratocystis paradoxa assessed as concentration required for inhibition of mycelial growth incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 Ceratocystis paradoxa None
Growth inhibition of Lasiodiplodia theobromae assessed as concentration required for inhibition of mycelial growth incubated for 15 min followed by compound washout measured after 7 days in absence of surfactant APSA 80 Lasiodiplodia theobromae 20.0 g/L
Growth inhibition of Lasiodiplodia theobromae assessed as concentration required for inhibition of mycelial growth incubated for 15 min followed by compound washout measured after 7 days in presence of surfactant APSA 80 Lasiodiplodia theobromae 20.0 g/L
Antifungal activity against Fusarium oxysporum f. sp. cubense race 4 incubated with 10'2 spore/ml for 5 to 30 min measured after 4 days Fusarium oxysporum f. sp. cubense race 4 None
Antifungal activity against Fusarium oxysporum f. sp. cubense race 4 at 0.01 times recommended dose incubated with 10'2 spore/ml for 5 min measured after 4 days Fusarium oxysporum f. sp. cubense race 4 None
Antifungal activity against Fusarium oxysporum f. sp. cubense race 4 incubated with 10'2 spore/ml for 5 min measured after 4 days Fusarium oxysporum f. sp. cubense race 4 None
Antifungal activity against Fusarium oxysporum f. sp. cubense race 4 at 10 times recommended dose incubated with 10'2 spore/ml for 5 min measured after 4 days Fusarium oxysporum f. sp. cubense race 4 None

Cross References

Resources Reference
ChEMBL CHEMBL1334078
FDA SRS DY38VHM5OD
PubChem 23665760
SureChEMBL SCHEMBL5239