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:296
Name:3-Chloro-4-methoxyacetanilide
Description:
Labels:training, Acetanilides
CAS:7073-42-9
InChi Code:InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.95

experimental value

2.03

Eq1: Linear correlation with logP (Training set)

2.01

Eq2: Non-linear regression model (Training set)

2.01

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

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