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:1417
Name:2,4,4',5-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4.4'.5-tetrachlorobiphenyl (PCB 74)
Labels:
CAS:32690-93-0
InChi Code:InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.554158761

experimental value

1.8976

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

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