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:675
Name:Fenoxycarb
Description:
Labels:validation, Other_compounds
CAS:79127-80-3
InChi Code:InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

3.46

Eq1: Linear correlation with logP (Validation set)

3.38

Eq2: Non-linear regression model (Validation set)

3.38

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

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