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:771
Name:Dioxacarb
Description:
Labels:
CAS:6988-21-2
InChi Code:InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.57

experimental value

-0.67

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

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