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:947
Name:Endothall
Description:
Labels:
CAS:145-73-3
InChi Code:InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.27

experimental value

-0.35

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

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