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:726
Name:Meconin
Description:
Labels:
CAS:569-31-3
InChi Code:InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.89

experimental value

-0.99

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

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