Molecule ID: mol8581
SMILES: O=C(O)C#CCN1CCCC1
InChI: InChI=1S/C8H11NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2,5-7H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.76 | IUPAC digitized pKa | 1 » 0 |
| 1.76 | IUPAC digitized pKa | 1 » 0 |
| 8.25 | IUPAC digitized pKa | 0 » -1 |
| 8.25 | IUPAC digitized pKa | 0 » -1 |