Synonyms
UNII 42L7BZ8H74
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 YYVYAPXYZVYDHN-UHFFFAOYSA-N
Smiles O=C1C(=O)c2ccccc2c3ccccc13
InChI
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8O2
Molecular Weight 208.21
AlogP 2.81
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 2.0
Heavy Atoms 16.0
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 -15.4 %

Cross References

Resources Reference
ChEMBL CHEMBL51931
FDA SRS 42L7BZ8H74
PubChem 6763
SureChEMBL SCHEMBL43050
ZINC ZINC01529614