Synonyms
UNII 01W5X7N5XV
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 UGNWTBMOAKPKBL-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl
InChI
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Physicochemical Descriptors

Property Name Value
Molecular Formula C6Cl4O2
Molecular Weight 245.88
AlogP 2.16
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
Toxicity against Trichoplusia ni (cabbage looper) third-instar larvae stage assessed as mortality at 10 ug/ml for 24 hr by topical application Trichoplusia ni 10.0 %
Antifeedant activity against Trichoplusia ni (cabbage looper) third-instar larvae stage assessed as feeding deterrence index at 50 microg/cm'2 by feeding deterrent bioassay Trichoplusia ni 35.8 %

Cross References

Resources Reference
ChEMBL CHEMBL192627
FDA SRS 01W5X7N5XV
PubChem 8371
SureChEMBL SCHEMBL24049
ZINC ZINC00240941