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:836
Name:3,4,5-trichlorophenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,4,5-Trichlorophenol
Labels:
CAS:609-19-8
InChi Code:InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
3.56

experimental value

2.5529

Tab2.Model_2: logKoc (Training set)

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