Molecule ID: mol10315
SMILES: O=S(=O)(O)c1ccc(O)c2[nH]ncc12
InChI: InChI=1S/C7H6N2O4S/c10-5-1-2-6(14(11,12)13)4-3-8-9-7(4)5/h1-3,10H,(H,8,9)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | -1 » -2 |
| 7.60 | QSARToolbox | -1 » -2 |
| 7.60 | IUPAC digitized pKa | -1 » -2 |
| 7.60 | Datawarrior | -1 » -2 |