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:192
Name:Hydrocortisone tebutate
Description:
Labels:
CAS:508-96-3
InChi Code:InChI=1S/C27H40O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.51

experimental value

-5.24

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

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