Molecule ID: mol10048
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c2cn[nH]c2c1O
InChI: InChI=1S/C7H4N4O5/c12-7-5(11(15)16)1-4(10(13)14)3-2-8-9-6(3)7/h1-2,12H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | IUPAC digitized pKa | 0 » -1 |
| 2.50 | Datawarrior | 0 » -1 |
| 2.50 | OCHEM | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |