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:56
Name:Alpha-Endosulfan
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:959-98-8
InChi Code:InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.13

experimental value

4.16

Eq1: Linear correlation with logP (Training set)

4.21

Eq2: Non-linear regression model (Training set)

4.21

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