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:1265
Name:1,2,4,5-tetrabromobenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.4.5-tetrabromobenzene
Labels:
CAS:636-28-2
InChi Code:InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.345825461

experimental value

0.7478

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

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