Molecule ID: mol3204
SMILES: C#CCNCC#C
InChI: InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.08 | OCHEM | 1 » 0 |
| 6.08 | Datawarrior | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | AttenGpKa training set | 1 » 0 |