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:133
Name:Dinoseb
Description:
Labels:training, Phenols
CAS:88-85-7
InChi Code:InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.7

experimental value

3.02

Eq1: Linear correlation with logP (Training set)

2.90

Eq2: Non-linear regression model (Training set)

2.9

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

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