Molecule ID: mol10313
SMILES: O=S(=O)(O)c1c(O)ccc2[nH]ncc12
InChI: InChI=1S/C7H6N2O4S/c10-6-2-1-5-4(3-8-9-5)7(6)14(11,12)13/h1-3,10H,(H,8,9)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.55 | IUPAC digitized pKa | -1 » -2 |
| 10.55 | Datawarrior | -1 » -2 |
| 10.55 | OCHEM | -1 » -2 |
| 10.55 | QSARToolbox | -1 » -2 |