10967/188 - QDB Compounds

QsarDB Repository

Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:359
Name:Siduron
Description:
Labels:
CAS:1982-49-6
InChi Code:InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.8

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.11

experimental value

-4.27

Eq.1: General solubility equation (Test set to verify GSE)

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