Molecule ID: mol10615
SMILES: CC(=O)Nc1ccc([N+](=O)[O-])c(O)c1
InChI: InChI=1S/C8H8N2O4/c1-5(11)9-6-2-3-7(10(13)14)8(12)4-6/h2-4,12H,1H3,(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.71 | IUPAC digitized pKa | 0 » -1 |
| 6.71 | OCHEM | 0 » -1 |
| 6.71 | AttenGpKa training set | 0 » -1 |