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:304
Name:Acetochlor
Description:
Labels:training, Acetanilides
CAS:34256-82-1
InChi Code:InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.32

experimental value

2.59

Eq1: Linear correlation with logP (Training set)

2.49

Eq2: Non-linear regression model (Training set)

2.49

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

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