Molecule ID: mol12893
SMILES: NC(=O)C#CC#C/C=C/C(=O)O
InChI: InChI=1S/C8H5NO3/c9-7(10)5-3-1-2-4-6-8(11)12/h4,6H,(H2,9,10)(H,11,12)/b6-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 0 » -1 |
| 3.52 | Datawarrior | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |