Molecule ID: mol19324
SMILES: CC(C)(CO[N+](=O)[O-])C(=O)Oc1ccccc1C(=O)O
InChI: InChI=1S/C12H13NO7/c1-12(2,7-19-13(17)18)11(16)20-9-6-4-3-5-8(9)10(14)15/h3-6H,7H2,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.69 | Baltruschat ChEMBL | 0 » -1 |