Molecule ID: mol13299
SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1CO
InChI: InChI=1S/C8H7NO5/c10-4-5-1-2-6(9(13)14)3-7(5)8(11)12/h1-3,10H,4H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | Datawarrior | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |