Molecule ID: mol24680
SMILES: Cc1ccc(S(=O)(=O)OCC2CN3CCC2CC3)cc1
InChI: InChI=1S/C15H21NO3S/c1-12-2-4-15(5-3-12)20(17,18)19-11-14-10-16-8-6-13(14)7-9-16/h2-5,13-14H,6-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.78 | QSARToolbox | 1 » 0 |
| 9.78 | AttenGpKa training set | 1 » 0 |