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:1401
Name:1,2-dibenzyl-3-methylbenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. methylbis(phenylmethyl)-
Labels:
CAS:26898-17-9
InChi Code:InChI=1S/C21H20/c1-17-9-8-14-20(15-18-10-4-2-5-11-18)21(17)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.550825461

experimental value

1.5134

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