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:299
Name:Propanil
Description:
Labels:training, Acetanilides
CAS:709-98-8
InChi Code:InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.17

experimental value

2.81

Eq1: Linear correlation with logP (Training set)

2.70

Eq2: Non-linear regression model (Training set)

2.7

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

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