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:955
Name:d-Quercitol
Description:Name was changed. Original name was: d-Querticol
Labels:
CAS:488-73-3
InChi Code:InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.17

experimental value

-0.54

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

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