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:1374
Name:(2,6-dichlorophenyl)methanol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenemethanol. 2.6-dichloro-
Labels:
CAS:15258-73-8
InChi Code:InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.374174539

experimental value

-0.4818

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

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