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:400
Name:Pronamide
Description:
Labels:training, Benzamides
CAS:23950-58-5
InChi Code:InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.31

experimental value

3.16

Eq1: Linear correlation with logP (Training set)

3.05

Eq2: Non-linear regression model (Training set)

3.05

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

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