Molecule ID: mol3203
SMILES: C#CCN(CC#C)CC#C
InChI: InChI=1S/C9H9N/c1-4-7-10(8-5-2)9-6-3/h1-3H,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.04 | Datawarrior | 1 » 0 |
| 3.04 | OCHEM | 1 » 0 |
| 3.09 | IUPAC digitized pKa | 1 » 0 |
| 3.09 | AttenGpKa training set | 1 » 0 |