Molecule ID: mol14472
SMILES: CCC(=O)NOC(=O)/C=C/c1ccccc1
InChI: InChI=1S/C12H13NO3/c1-2-11(14)13-16-12(15)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,14)/b9-8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | Datawarrior | 0 » -1 |
| 6.80 | QSARToolbox | 0 » -1 |