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:1505
Name:3,4,4',5-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.4.4'.5-Tetrachlorobiphenyl
Labels:
CAS:70362-50-4
InChi Code:InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.690825461

experimental value

1.9029

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

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