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:483
Name:Ipazine
Description:
Labels:training, Symtriazines
CAS:1912-25-0
InChi Code:InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.91

experimental value

3.51

Eq1: Linear correlation with logP (Training set)

3.44

Eq2: Non-linear regression model (Training set)

3.44

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

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