10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1492
Name:(R)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: alpha-cypermethrin
Labels:
CAS:67375-30-8
InChi Code:InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20+/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.700825461

experimental value

0.4731

Tab2.Model_5: Metab. biotransf. fish (Training set)