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:986
Name:D-chiro-Inositol
Description:Name was changed from d-Inositol to D-chiro-Inositol
Labels:
CAS:643-12-9
InChi Code:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.35

experimental value

-1.37

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