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:322
Name:3-Trifluoromethylphenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:13114-87-9
InChi Code:InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.98

experimental value

1.94

Eq1: Linear correlation with logP (Training set)

1.95

Eq2: Non-linear regression model (Training set)

1.95

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

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