Molecule ID: mol15254
SMILES: CC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O
InChI: InChI=1S/C12H13NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-6,12H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.54 | QSARToolbox | 0 » -1 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |