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:594
Name:Fomesafen
Description:
Labels:training, Sulfone_derivatives
CAS:72178-02-0
InChi Code:InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.78

experimental value

2.97

Eq1: Linear correlation with logP (Training set)

2.86

Eq2: Non-linear regression model (Training set)

2.86

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

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