Molecule ID: mol13343
SMILES: N#CCC[n+]1ccc(C(N)=O)cc1
InChI: InChI=1S/C9H9N3O/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h2-3,6-7H,1,5H2,(H-,11,13)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.30 | Datawarrior | 1 » 0 |
| 13.30 | OCHEM | 1 » 0 |
| 13.30 | QSARToolbox | 1 » 0 |