VINCLOZOLIN

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Synonyms
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 FSCWZHGZWWDELK-UHFFFAOYSA-N
Smiles CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C
InChI
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9Cl2NO3
Molecular Weight 286.11
AlogP 3.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 46.61
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Pre-emergence herbicidal activity against Elatine triandra assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Elatine triandra 50.0 %
Pre-emergence herbicidal activity against Rotala indica assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Rotala indica 50.0 %
Pre-emergence herbicidal activity against Schoenoplectiella juncoides assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Schoenoplectiella juncoides 30.0 %
Pre-emergence herbicidal activity against Monochoria vaginalis assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Monochoria vaginalis 50.0 %
Pre-emergence phytotoxicity against Oryza sativa cv. Koshihikari (rice) assessed as phytotoxic crop injury visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Oryza sativa 0.0 %
Pre-emergence herbicidal activity against Lindernia procumbens assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Lindernia procumbens 50.0 %
Pre-emergence herbicidal activity against Cyperus difformis assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Cyperus difformis 50.0 %
Pre-emergence herbicidal activity against Echinochloa oryzicola assessed as phytotoxic weed control visual ratings at 2.5 kg ai/ha measured after 14 days post treatment under flooded conditions Echinochloa oryzicola 90.0 %
Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 1 mg/ml after 72 hr by paper disk diffusion method Fusarium oxysporum None
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 1 mg/ml after 72 hr by paper disk diffusion method Botryotinia fuckeliana None
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 50 ppm applied as soil drench 3 days prior to inoculation Botryotinia fuckeliana 56.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 200 ppm applied as soil drench 3 days prior to inoculation Botryotinia fuckeliana 93.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 12.5 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 45.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 50 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 75.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 200 ppm treated as foliar application followed by incubation for 7 days in green house condition Botryotinia fuckeliana 91.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 3.1 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 70.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 12.5 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 97.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 50 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected kidney bean leaves at 200 ppm 24 hr post-infection measured after 3 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 3.1 ppm after 4 days Botryotinia fuckeliana 21.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 12.5 ppm after 4 days Botryotinia fuckeliana 77.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 50 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-44 infected compound-treated kidney bean leaves at 200 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 infected compound-treated kidney bean leaves at 3.1 ppm after 4 days Botryotinia fuckeliana 31.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 infected compound-treated kidney bean leaves at 12.5 ppm after 4 days Botryotinia fuckeliana 82.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 infected compound-treated kidney bean leaves at 200 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-resistant Botryotinia fuckeliana isolate Bc-20 infected compound-treated kidney bean leaves at 50 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 infected compound-treated kidney bean leaves at 3.1 ppm after 4 days Botryotinia fuckeliana 39.0 %
Antifungal activity against Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 infected compound-treated kidney bean leaves at 12.5 ppm after 4 days Botryotinia fuckeliana 90.0 %
Antifungal activity against Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 infected compound-treated kidney bean leaves at 50 ppm after 4 days Botryotinia fuckeliana 100.0 %
Antifungal activity against Benzimidalzole-sensitive Botryotinia fuckeliana isolate Bc-9 infected compound-treated kidney bean leaves at 200 ppm after 4 days Botryotinia fuckeliana 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL513221
PubChem 39676
SureChEMBL SCHEMBL21851
CONTENTS