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: | 244 | |
|---|---|---|
| Name: | Delmadinone acetate | |
| Description: | ||
| Labels: | ||
| CAS: | 13698-49-2 | |
| InChi Code: | InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.95 |
experimental value |
| -5.05 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60160018 | US EPA CompTox Dashboard |