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:1123
Name:(chlorodiphenylmethyl)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.1.1-(chloromethylidyne)tris-
Labels:
CAS:76-83-5
InChi Code:InChI=1S/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.149174539

experimental value

1.5495

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