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:418
Name:Quizalofop-ethyl
Description:
Labels:training, Aromatic_Heterocycles
CAS:76578-14-8
InChi Code:InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.71

experimental value

3.49

Eq1: Linear correlation with logP (Training set)

3.41

Eq2: Non-linear regression model (Training set)

3.41

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

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