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:292
Name:2'-Chloroacetanilide
Description:
Labels:training, Acetanilides
CAS:533-17-5
InChi Code:InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.58

experimental value

1.47

Eq1: Linear correlation with logP (Training set)

1.61

Eq2: Non-linear regression model (Training set)

1.61

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

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