Molecule ID: mol10336
SMILES: Nc1ccc(S(=O)(=O)O)cc1C(=O)O
InChI: InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.67 | IUPAC digitized pKa | 0 » -1 |
| 4.61 | IUPAC digitized pKa | -1 » -2 |
| 4.61 | IUPAC digitized pKa | -1 » -2 |
| 4.65 | IUPAC digitized pKa | -1 » -2 |
| 4.69 | IUPAC digitized pKa | -1 » -2 |
| 4.70 | QSARToolbox | -1 » -2 |
| 4.70 | IUPAC digitized pKa | -1 » -2 |