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:542
Name:Sulfadimethoxine
Description:
Labels:
CAS:122-11-2
InChi Code:InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.63

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.96

experimental value

-3.17

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

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