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:59
Name:Chlordecone
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:143-50-0
InChi Code:InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.2

experimental value

4.26

Eq1: Linear correlation with logP (Training set)

4.34

Eq2: Non-linear regression model (Training set)

4.34

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

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