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:479
Name:Terbuthylazine
Description:
Labels:training, Symtriazines
CAS:5915-41-3
InChi Code:InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.32

experimental value

2.67

Eq1: Linear correlation with logP (Training set)

2.57

Eq2: Non-linear regression model (Training set)

2.57

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

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