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:173
Name:Chloramben methyl
Description:
Labels:training, Anilines
CAS:7286-84-2
InChi Code:InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.74

experimental value

2.63

Eq1: Linear correlation with logP (Training set)

2.52

Eq2: Non-linear regression model (Training set)

2.52

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

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