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:1280
Name:2,3,5,6-tetrachlorophenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.5.6-tetrachlorophenol
Labels:
CAS:935-95-5
InChi Code:InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.099174539

experimental value

0.0388

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

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