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 FFDJPKFQNPMIAE-UHFFFAOYSA-N
Smiles CNC1=C(Cl)C(=O)C(=C(Cl)C1=O)NC
InChI
InChI=1S/C8H8Cl2N2O2/c1-11-5-3(9)8(14)6(12-2)4(10)7(5)13/h11-12H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Cl2N2O2
Molecular Weight 235.07
AlogP -0.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 90.0 %
Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as termite mortality measured 3 days post compound exposure Coptotermes formosanus 8.8 %
Antifeedant activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 44 +/- 1.1 mg) Coptotermes formosanus 7.8 mg

Cross References

Resources Reference
ChEMBL CHEMBL2252829
PubChem 22034653
SureChEMBL SCHEMBL5160930