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:478
Name:Propazine
Description:
Labels:training, Symtriazines
CAS:139-40-2
InChi Code:InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.4

experimental value

2.53

Eq1: Linear correlation with logP (Training set)

2.43

Eq2: Non-linear regression model (Training set)

2.43

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

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