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:989
Name:2,2'-dichloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2'-Dichlorobiphenyl
Labels:
CAS:13029-08-8
InChi Code:InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

Properties

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

ValueSource or prediction
3.92

experimental value

4.116

Tab2.Model_2: logKoc (Training set)

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