Molecule ID: mol24681
SMILES: Cc1ccc(S(=O)(=O)OCC23CCN(CC2)CC3)cc1
InChI: InChI=1S/C15H21NO3S/c1-13-2-4-14(5-3-13)20(17,18)19-12-15-6-9-16(10-7-15)11-8-15/h2-5H,6-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.84 | QSARToolbox | 1 » 0 |
| 10.01 | AttenGpKa training set | 1 » 0 |