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:471
Name:Simazine
Description:
Labels:training, Symtriazines
CAS:122-34-9
InChi Code:InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.1

experimental value

2.19

Eq1: Linear correlation with logP (Training set)

2.14

Eq2: Non-linear regression model (Training set)

2.14

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

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