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:473
Name:Atrazine
Description:
Labels:training, Symtriazines
CAS:1912-24-9
InChi Code:InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.24

experimental value

2.36

Eq1: Linear correlation with logP (Training set)

2.28

Eq2: Non-linear regression model (Training set)

2.28

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

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