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:923
Name:2-chloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chlorobiphenyl
Labels:
CAS:2051-60-7
InChi Code:InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Properties

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

ValueSource or prediction
3.52

experimental value

3.8475

Tab2.Model_2: logKoc (Training set)

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