Molecule ID: mol9881
SMILES: O=Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c(O)c1O
InChI: InChI=1S/C6H5NO9S2/c8-5-3(18(14,15)16)1-2(17(11,12)13)4(7-10)6(5)9/h1,8-9H,(H,11,12,13)(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | IUPAC digitized pKa | -2 » -3 |
| 4.45 | IUPAC digitized pKa | -2 » -3 |
| 10.60 | IUPAC digitized pKa | -3 » -4 |