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:349
Name:Neburon
Description:
Labels:training, Phenylureas_and_methylureas
CAS:555-37-3
InChi Code:InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.4

experimental value

3.48

Eq1: Linear correlation with logP (Training set)

3.41

Eq2: Non-linear regression model (Training set)

3.41

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

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