Molecule ID: mol14341
SMILES: CC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]
InChI: InChI=1S/C9H7NO5/c1-5(11)8-6(9(12)13)3-2-4-7(8)10(14)15/h2-4H,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | Datawarrior | 0 » -1 |
| 3.26 | OCHEM | 0 » -1 |