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:704
Name:3-Hexyne
Description:
Labels:
CAS:928-49-4
InChi Code:InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.99

experimental value

-2.01

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

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