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:327
Name:3-(3,4-Dichlorophenyl)-1-methylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:3567-62-2
InChi Code:InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.46

experimental value

2.62

Eq1: Linear correlation with logP (Training set)

2.51

Eq2: Non-linear regression model (Training set)

2.51

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

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