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:293
Name:2-Chloroacetanilide
Description:
Labels:training, Acetanilides
CAS:587-65-5
InChi Code:InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.6

experimental value

1.77

Eq1: Linear correlation with logP (Training set)

1.82

Eq2: Non-linear regression model (Training set)

1.82

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

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