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:1140
Name:1,2,3,4,5-pentabromo-6-methylbenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentabromomethylbenzene
Labels:
CAS:87-83-2
InChi Code:InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.129174539

experimental value

1.1651

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

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