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:446
Name:Fenoxaprop-ethyl
Description:
Labels:training, Aromatic_Heterocycles
CAS:66441-23-4
InChi Code:InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.98

experimental value

3.62

Eq1: Linear correlation with logP (Training set)

3.57

Eq2: Non-linear regression model (Training set)

3.57

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

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