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:680
Name:Cypermethrin
Description:
Labels:validation, Other_compounds
CAS:52315-07-8
InChi Code:InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5

experimental value

4.61

Eq1: Linear correlation with logP (Validation set)

4.76

Eq2: Non-linear regression model (Validation set)

4.76

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

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