Molecule ID: mol10319
SMILES: O=S(=O)(O)c1cc(O)cc2cn[nH]c12
InChI: InChI=1S/C7H6N2O4S/c10-5-1-4-3-8-9-7(4)6(2-5)14(11,12)13/h1-3,10H,(H,8,9)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.65 | OCHEM | -1 » -2 |
| 9.65 | QSARToolbox | -1 » -2 |
| 9.65 | IUPAC digitized pKa | -1 » -2 |
| 9.65 | Datawarrior | -1 » -2 |