2,3-DICHLORO-5,6-DIMETHYL-1,4-BENZOQUINONE

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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 AYRNOTNKIMVGIC-UHFFFAOYSA-N
Smiles CC1=C(C)C(=O)C(=C(Cl)C1=O)Cl
InChI
InChI=1S/C8H6Cl2O2/c1-3-4(2)8(12)6(10)5(9)7(3)11/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl2O2
Molecular Weight 205.04
AlogP 2.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 34.14
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 26.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 10.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 60.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 26.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 7.5 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 41.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 6.8 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 3.8 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 3.4 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 30.4 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 2.5 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 3.8 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 1.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 26.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 1.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 3.8 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 1.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % 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 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 3 days post compound exposure Coptotermes formosanus 100.0 %
Antifeedant activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 23.6 +/- 13.6 mg) Coptotermes formosanus 17.5 mg
Antifeedant activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 23.6 +/- 13.6 mg) Coptotermes formosanus 25.0 mg
Antifeedant activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 23.6 +/- 13.6 mg) Coptotermes formosanus 18.3 mg
Antifeedant activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 23.6 +/- 13.6 mg) Coptotermes formosanus 13.1 mg
Antifeedant activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 23.6 +/- 13.6 mg) Coptotermes formosanus 3.2 mg
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 27.5 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 10.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 68.8 %

Cross References

Resources Reference
ChEMBL CHEMBL2252826
PubChem 3609898
SureChEMBL SCHEMBL2575338
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