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:1158
Name:2-bromophenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: O-bromophenol
Labels:
CAS:95-56-7
InChi Code:InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.244174539

experimental value

-1.1955

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

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