Molecule ID: mol8579
SMILES: O=C(O)C#CCN1CCCCC1
InChI: InChI=1S/C9H13NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-3,6-8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | IUPAC digitized pKa | 1 » 0 |
| 1.78 | IUPAC digitized pKa | 1 » 0 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |