Molecule ID: mol9365
SMILES: Cn1c(=O)[nH]cc([N+](=O)[O-])c1=O
InChI: InChI=1S/C5H5N3O4/c1-7-4(9)3(8(11)12)2-6-5(7)10/h2H,1H3,(H,6,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | IUPAC digitized pKa | 0 » -1 |
| 5.70 | AttenGpKa training set | 0 » -1 |