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:470
Name:Hydroxyatrazine
Description:
Labels:training, Symtriazines
CAS:2163-68-0
InChi Code:InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

2.05

Eq1: Linear correlation with logP (Training set)

2.03

Eq2: Non-linear regression model (Training set)

2.03

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

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