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: | 178 | |
|---|---|---|
| Name: | Androstane-17-one | |
| Description: | ||
| Labels: | ||
| CAS: | 36378-49-1 | |
| InChi Code: | InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13?,14-,15-,16-,18-,19-/m0/s1 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -5.7 |
experimental value |
| -5.52 |
Eq.1: General solubility equation (Test set to verify GSE) |