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:766
Name:dibromo(chloro)methane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorodibromomethane
Labels:
CAS:124-48-1
InChi Code:InChI=1S/CHBr2Cl/c2-1(3)4/h1H

Properties

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

ValueSource or prediction
1.92

experimental value

2.3126

Tab2.Model_2: logKoc (Training set)

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