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:318
Name:3,4-Dichlorophenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:2327-02-8
InChi Code:InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.53

experimental value

2.42

Eq1: Linear correlation with logP (Training set)

2.34

Eq2: Non-linear regression model (Training set)

2.34

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

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