Molecule ID: mol14877
SMILES: CC(C)(/C=C/C(=O)O)c1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C12H13NO5/c1-12(2,6-5-11(15)16)9-7-8(13(17)18)3-4-10(9)14/h3-7,14H,1-2H3,(H,15,16)/b6-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | Datawarrior | 0 » -1 |
| 7.24 | Datawarrior | -1 » -2 |