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:54
Name:Endrin
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:72-20-8
InChi Code:InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.08

experimental value

3.63

Eq1: Linear correlation with logP (Training set)

3.58

Eq2: Non-linear regression model (Training set)

3.58

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