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:302
Name:Propachlor
Description:
Labels:training, Acetanilides
CAS:1918-16-7
InChi Code:InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.42

experimental value

2.14

Eq1: Linear correlation with logP (Training set)

2.10

Eq2: Non-linear regression model (Training set)

2.1

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

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