Molecule ID: mol10616
SMILES: CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H8N2O4/c1-5(11)9-6-2-3-8(12)7(4-6)10(13)14/h2-4,12H,1H3,(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.78 | IUPAC digitized pKa | 0 » -1 |
| 6.78 | Datawarrior | 0 » -1 |
| 6.78 | OCHEM | 0 » -1 |
| 6.78 | AttenGpKa training set | 0 » -1 |
| 6.78 | OCHEM | 0 » -1 |
| 6.78 | QSARToolbox | 0 » -1 |
| 6.78 | QSARToolbox | 0 » -1 |