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:477
Name:Trietazine
Description:
Labels:training, Symtriazines
CAS:1912-26-1
InChi Code:InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.76

experimental value

3.34

Eq1: Linear correlation with logP (Training set)

3.25

Eq2: Non-linear regression model (Training set)

3.25

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

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