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:434
Name:Norflurazon
Description:
Labels:training, Aromatic_Heterocycles
CAS:27314-13-2
InChi Code:InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.28

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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