Molecule ID: mol9708
SMILES: O=S(=O)(O)c1cc(O)c(O)c(O)c1
InChI: InChI=1S/C6H6O6S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,7-9H,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.39 | IUPAC digitized pKa | -1 » -2 |
| 8.85 | AttenGpKa training set | -2 » -3 |
| 10.20 | AttenGpKa training set | -2 » -3 |
| 11.40 | IUPAC digitized pKa | -3 » -4 |
| 12.30 | AttenGpKa training set | -3 » -4 |