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:249
Name:Dexamethasone 17-acetate
Description:Name and CAS no. do not match. It was impossible to identify correct structure, therefore no SMILES or InChI keys were generated.
Labels:
CAS:1177-87-3
InChi Code:

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.91

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.9

experimental value

-4.16

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