10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:49
Name:alpha-HCH
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:319-84-6
InChi Code:InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.3

experimental value

3.15

Eq1: Linear correlation with logP (Training set)

3.04

Eq2: Non-linear regression model (Training set)

3.04

Eq3: Non-linear regression model with correction factors (Training set)