Molecule ID: mol8577
SMILES: O=C(O)C#CCN1CCNCC1
InChI: InChI=1S/C8H12N2O2/c11-8(12)2-1-5-10-6-3-9-4-7-10/h9H,3-7H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.78 | IUPAC digitized pKa | 2 » 1 |
| 2.78 | IUPAC digitized pKa | 2 » 1 |
| 9.28 | IUPAC digitized pKa | 0 » -1 |
| 9.28 | IUPAC digitized pKa | 0 » -1 |