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:365
Name:Phenmedipham
Description:
Labels:training, Phenylcarbamates
CAS:13684-63-4
InChi Code:InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.38

experimental value

2.75

Eq1: Linear correlation with logP (Training set)

2.64

Eq2: Non-linear regression model (Training set)

2.64

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

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