Molecule ID: mol10996
SMILES: CCOC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.44 | IUPAC digitized pKa | 0 » -1 |
| 5.44 | Datawarrior | 0 » -1 |
| 5.44 | OCHEM | 0 » -1 |
| 5.44 | AttenGpKa training set | 0 » -1 |
| 5.44 | QSARToolbox | 0 » -1 |
| 5.44 | QSARToolbox | 0 » -1 |
| 5.44 | OCHEM | 0 » -1 |