Molecule ID: mol13661
SMILES: C#CCN1CCOCC1
InChI: InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.54 | QSARToolbox | 1 » 0 |
| 5.54 | Datawarrior | 1 » 0 |
| 5.54 | OCHEM | 1 » 0 |
| 5.60 | AttenGpKa training set | 1 » 0 |