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:679
Name:Permethrin
Description:
Labels:validation, Other_compounds
CAS:52645-53-1
InChi Code:InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.8

experimental value

4.95

Eq1: Linear correlation with logP (Validation set)

5.13

Eq2: Non-linear regression model (Validation set)

5.13

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

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