Molecule ID: mol10374
SMILES: Cc1cccc(C(O)S(=O)(=O)O)n1
InChI: InChI=1S/C7H9NO4S/c1-5-3-2-4-6(8-5)7(9)13(10,11)12/h2-4,7,9H,1H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.83 | IUPAC digitized pKa | 0 » -1 |
| 9.88 | IUPAC digitized pKa | -1 » -2 |