Molecule ID: mol9738
SMILES: CCOc1nc(=O)[nH]cc1[N+](=O)[O-]
InChI: InChI=1S/C6H7N3O4/c1-2-13-5-4(9(11)12)3-7-6(10)8-5/h3H,2H2,1H3,(H,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | IUPAC digitized pKa | 0 » -1 |
| 6.60 | AttenGpKa training set | 0 » -1 |