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:481
Name:Cyanazine
Description:
Labels:training, Symtriazines
CAS:21725-46-2
InChi Code:InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.28

experimental value

2.01

Eq1: Linear correlation with logP (Training set)

2.00

Eq2: Non-linear regression model (Training set)

2

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

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