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:484
Name:Dipropetryn
Description:
Labels:training, Symtriazines
CAS:4147-51-7
InChi Code:InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.07

experimental value

3.66

Eq1: Linear correlation with logP (Training set)

3.61

Eq2: Non-linear regression model (Training set)

3.61

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

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