Molecule ID: mol3372
SMILES: C#CCNc1ccccc1
InChI: InChI=1S/C9H9N/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7,10H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.06 | OCHEM | 1 » 0 |
| 3.06 | IUPAC digitized pKa | 1 » 0 |
| 3.06 | Datawarrior | 1 » 0 |
| 3.07 | AttenGpKa training set | 1 » 0 |