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:474
Name:Prometon
Description:
Labels:training, Symtriazines
CAS:1610-18-0
InChi Code:InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.6

experimental value

2.53

Eq1: Linear correlation with logP (Training set)

2.44

Eq2: Non-linear regression model (Training set)

2.44

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

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