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:587
Name:Ethofumesate
Description:
Labels:training, Sulfone_derivatives
CAS:26225-79-6
InChi Code:InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.53

experimental value

2.12

Eq1: Linear correlation with logP (Training set)

2.09

Eq2: Non-linear regression model (Training set)

2.09

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

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