Molecule ID: mol13344
SMILES: N#CCC[n+]1cccc(C(N)=O)c1
InChI: InChI=1S/C9H9N3O/c10-4-2-6-12-5-1-3-8(7-12)9(11)13/h1,3,5,7H,2,6H2,(H-,11,13)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.16 | QSARToolbox | 1 » 0 |
| 13.16 | Datawarrior | 1 » 0 |
| 13.16 | OCHEM | 1 » 0 |