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:635
Name:Methoxychlor
Description:
Labels:validation, Other_compounds
CAS:72-43-5
InChi Code:InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.9

experimental value

4.24

Eq1: Linear correlation with logP (Validation set)

4.32

Eq2: Non-linear regression model (Validation set)

4.32

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

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