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:482
Name:Terbutryn
Description:
Labels:training, Symtriazines
CAS:886-50-0
InChi Code:InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.85

experimental value

3.48

Eq1: Linear correlation with logP (Training set)

3.41

Eq2: Non-linear regression model (Training set)

3.41

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

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