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:57
Name:Chlordane
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:57-74-9
InChi Code:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.15

experimental value

4.47

Eq1: Linear correlation with logP (Training set)

4.60

Eq2: Non-linear regression model (Training set)

4.6

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

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