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:613
Name:Urea
Description:
Labels:validation, Other_compounds
CAS:57-13-6
InChi Code:InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
0.15

experimental value

-0.47

Eq1: Linear correlation with logP (Validation set)

0.69

Eq2: Non-linear regression model (Validation set)

0.69

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

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