Molecule ID: mol9739
SMILES: CCOc1nc(=O)c([N+](=O)[O-])c[nH]1
InChI: InChI=1S/C6H7N3O4/c1-2-13-6-7-3-4(9(11)12)5(10)8-6/h3H,2H2,1H3,(H,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | AttenGpKa training set | 0 » -1 |