Molecule ID: mol10317
SMILES: O=S(=O)(O)c1cc(O)c2cn[nH]c2c1
InChI: InChI=1S/C7H6N2O4S/c10-7-2-4(14(11,12)13)1-6-5(7)3-8-9-6/h1-3,10H,(H,8,9)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | IUPAC digitized pKa | -1 » -2 |
| 8.10 | Datawarrior | -1 » -2 |
| 8.10 | QSARToolbox | -1 » -2 |
| 8.10 | OCHEM | -1 » -2 |