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:1432
Name:2,3,3',4,4',5-hexachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3'.4.4'.5-hexachlorobiphenyl (PCB 156)
Labels:
CAS:38380-08-4
InChi Code:InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.728825461

experimental value

2.2983

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

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