Molecule ID: mol10323
SMILES: O=S(=O)(O)c1cc2cn[nH]c2c(S(=O)(=O)O)c1O
InChI: InChI=1S/C7H6N2O7S2/c10-6-4(17(11,12)13)1-3-2-8-9-5(3)7(6)18(14,15)16/h1-2,10H,(H,8,9)(H,11,12,13)(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | QSARToolbox | -2 » -3 |
| 9.40 | IUPAC digitized pKa | -2 » -3 |