Molecule ID: mol34057
SMILES: CCN(CC)c1ccc(S(=O)(=O)O)cc1
InChI: InChI=1S/C10H15NO3S/c1-3-11(4-2)9-5-7-10(8-6-9)15(12,13)14/h5-8H,3-4H2,1-2H3,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |