Molecule ID: mol8560
SMILES: O=C(O)C#CCN1CCOCC1
InChI: InChI=1S/C8H11NO3/c10-8(11)2-1-3-9-4-6-12-7-5-9/h3-7H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | QSARToolbox | 1 » 0 |
| 1.79 | IUPAC digitized pKa | 1 » 0 |
| 1.79 | IUPAC digitized pKa | 1 » 0 |
| 1.79 | Datawarrior | 1 » 0 |
| 1.79 | OCHEM | 1 » 0 |
| 5.57 | IUPAC digitized pKa | 0 » -1 |
| 5.57 | IUPAC digitized pKa | 0 » -1 |
| 5.57 | Datawarrior | 0 » -1 |
| 5.57 | OCHEM | 0 » -1 |