Molecule ID: mol10125
SMILES: O=C(O)c1ccc(S(=O)O)cc1
InChI: InChI=1S/C7H6O4S/c8-7(9)5-1-3-6(4-2-5)12(10)11/h1-4H,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | IUPAC digitized pKa | -1 » -2 |
| 4.00 | IUPAC digitized pKa | -1 » -2 |
| 4.06 | IUPAC digitized pKa | -1 » -2 |
| 4.11 | IUPAC digitized pKa | -1 » -2 |
| 4.14 | IUPAC digitized pKa | -1 » -2 |
| 4.20 | IUPAC digitized pKa | -1 » -2 |
| 4.27 | IUPAC digitized pKa | -1 » -2 |