Molecule ID: mol9707
SMILES: O=S(=O)(O)c1ccc(O)c(O)c1
InChI: InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | IUPAC digitized pKa | -1 » -2 |
| 8.26 | IUPAC digitized pKa | -1 » -2 |
| 8.26 | IUPAC digitized pKa | -1 » -2 |
| 8.38 | AttenGpKa training set | -1 » -2 |
| 8.50 | IUPAC digitized pKa | -1 » -2 |
| 12.16 | IUPAC digitized pKa | -2 » -3 |
| 12.20 | IUPAC digitized pKa | -2 » -3 |
| 12.48 | AttenGpKa training set | -2 » -3 |
| 12.80 | IUPAC digitized pKa | -2 » -3 |
| 12.80 | IUPAC digitized pKa | -2 » -3 |