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:307
Name:Butachlor
Description:
Labels:training, Acetanilides
CAS:23184-66-9
InChi Code:InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.86

experimental value

3.57

Eq1: Linear correlation with logP (Training set)

3.50

Eq2: Non-linear regression model (Training set)

3.5

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

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