Molecule ID: mol9706
SMILES: O=S(=O)(O)c1ccc(O)cc1
InChI: InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.19 | AttenGpKa training set | 0 » -1 |
| 8.56 | IUPAC digitized pKa | -1 » -2 |
| 8.70 | OCHEM | -1 » -2 |
| 8.89 | AttenGpKa training set | -1 » -2 |
| 8.95 | IUPAC digitized pKa | -1 » -2 |
| 8.97 | IUPAC digitized pKa | -1 » -2 |
| 9.52 | IUPAC digitized pKa | -1 » -2 |