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:1380
Name:2,4',5-trichloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4'.5-Trichloro-1.1'-biphenyl
Labels:
CAS:16606-02-3
InChi Code:InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.910825461

experimental value

1.6952

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

Links to External Resources