Molecule ID: mol35833
SMILES: CCNc1ccc(S(=O)(=O)O)cc1
InChI: InChI=1S/C8H11NO3S/c1-2-9-7-3-5-8(6-4-7)13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.36 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |