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:584
Name:Bentazon
Description:
Labels:training, Sulfone_derivatives
CAS:25057-89-0
InChi Code:InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.52

experimental value

1.28

Eq1: Linear correlation with logP (Training set)

1.49

Eq2: Non-linear regression model (Training set)

1.49

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

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