Molecule ID: mol9012
SMILES: O=C1NC(=O)C(=NO)C(=O)N1
InChI: InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h11H,(H2,5,6,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | IUPAC digitized pKa | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | Datawarrior | 0 » -1 |
| 9.66 | IUPAC digitized pKa | -2 » -3 |
| 10.06 | Datawarrior | -2 » -3 |
| 10.06 | QSARToolbox | -2 » -3 |