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 SQSYNRCXIZHKAI-UHFFFAOYSA-N
Smiles OC(=O)c1cc(Cl)nc(Cl)c1
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl2NO2
Molecular Weight 192.0
AlogP 2.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 50.19
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Phytotoxicity in Cucurbita pepo (pumpkin) assessed as effect on host weight and height under greenhouse condition at 50 ug/ml Cucurbita pepo None
Insecticidal activity against Phytophthora capsici in Cucurbita pepo assessed as effect on host weight and height under greenhouse condition at 25 to 50 ug/ml Phytophthora capsici None
Insecticidal activity against 10'4 spores/ml of Phytophthora capsici in Cucurbita pepo assessed as reduction of disease severity under greenhouse condition at 25 to 50 ug/ml applied as foliar spray after 1 week Phytophthora capsici None
Insecticidal activity against 10'3 spores/ml of Phytophthora capsici in Cucurbita pepo assessed as reduction of disease severity under greenhouse condition at 25 to 50 ug/ml applied as foliar spray after 1 week Phytophthora capsici None
Insecticidal activity against Phytophthora capsici in Cucurbita pepo assessed as reduction of disease severity under greenhouse condition at 25 to 50 ug/ml after 1 week Phytophthora capsici None
Insecticidal activity against Phytophthora capsici assessed as inhibition of sporangium production after 4 days Phytophthora capsici None
Insecticidal activity against Phytophthora capsici assessed as inhibition of zoospore germination at 500 to 1000 ug/ml after 4 days with 16 hr photoperiod Phytophthora capsici None
Insecticidal activity against Phytophthora capsici assessed as inhibition of mycelial growth by measuring perpendicular colony diameter at 25 to 2000 ug/ml after 8 days Phytophthora capsici None
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as disease index at 1 mM sprayed on leaves exposed to compound for 2 to 48 hr measured 10 days after planting Hyaloperonospora parasitica None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in chitinase activity at 1 mM sprayed on leaves exposed to compound for 2 to 48 hr measured 10 days after planting by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in glucanase activity at 1 mM sprayed on leaves exposed to compound for 2 to 48 hr measured 10 days after planting by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in glucanase activity at 1 mM sprayed on seeds by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in glucanase activity at 1 mM sprayed on leaves of 3 weeks old seedlings by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in chitinase activity at 1 mM sprayed on seeds by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in chitinase activity at 1 mM sprayed on leaves of 3 weeks old seedlings by colorimetric assay Brassica oleracea None

Cross References

Resources Reference
ChEMBL CHEMBL2447891
PubChem 94830
SureChEMBL SCHEMBL56204