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:355
Name:Methyl Phenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:2603-10-3
InChi Code:InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.73

experimental value

1.58

Eq1: Linear correlation with logP (Training set)

1.69

Eq2: Non-linear regression model (Training set)

1.69

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

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