Molecule ID: mol10314
SMILES: O=S(=O)(O)c1cc(O)cc2[nH]ncc12
InChI: InChI=1S/C7H6N2O4S/c10-4-1-6-5(3-8-9-6)7(2-4)14(11,12)13/h1-3,10H,(H,8,9)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | IUPAC digitized pKa | -1 » -2 |
| 8.85 | Datawarrior | -1 » -2 |
| 8.85 | QSARToolbox | -1 » -2 |
| 8.85 | OCHEM | -1 » -2 |