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:691
Name:Fluvalinate
Description:
Labels:validation, Other_compounds
CAS:69409-94-5
InChi Code:InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
6

experimental value

5.31

Eq1: Linear correlation with logP (Validation set)

5.44

Eq2: Non-linear regression model (Validation set)

5.44

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

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