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:58
Name:Toxaphene
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:8001-35-2
InChi Code:InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.1

experimental value

4.5

Eq1: Linear correlation with logP (Training set)

4.63

Eq2: Non-linear regression model (Training set)

4.63

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