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:1480
Name:2,2',4,4',6,6'-hexabromo-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.4.4'.6.6'-hexabromobiphenyl
Labels:
CAS:59261-08-4
InChi Code:InChI=1S/C12H4Br6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.660825461

experimental value

1.8972

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

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