10967/188 - QDB Compounds

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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:627
Name:Sulfathiazole
Description:
Labels:
CAS:72-14-0
InChi Code:InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.43

experimental value

-1.98

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

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