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:1187
Name:1,4-dibromobenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.4-dibromo-
Labels:
CAS:106-37-6
InChi Code:InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.310825461

experimental value

0.2081

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

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