Molecule ID: mol10316
SMILES: O=S(=O)(O)c1cc(O)c2[nH]ncc2c1
InChI: InChI=1S/C7H6N2O4S/c10-6-2-5(14(11,12)13)1-4-3-8-9-7(4)6/h1-3,10H,(H,8,9)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | -1 » -2 |
| 8.00 | Datawarrior | -1 » -2 |
| 8.00 | OCHEM | -1 » -2 |
| 8.00 | QSARToolbox | -1 » -2 |