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:192
Name:Silvex
Description:
Labels:training, Organic_acids
CAS:93-72-1
InChi Code:InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.5

experimental value

2.9

Eq1: Linear correlation with logP (Training set)

2.78

Eq2: Non-linear regression model (Training set)

2.38

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

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