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:60
Name:Mirex
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:2385-85-5
InChi Code:InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
6

experimental value

4.38

Eq1: Linear correlation with logP (Training set)

4.49

Eq2: Non-linear regression model (Training set)

4.49

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

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