Molecule ID: mol13793
SMILES: CC(=O)OCC1CC2CCN1CC2
InChI: InChI=1S/C10H17NO2/c1-8(12)13-7-10-6-9-2-4-11(10)5-3-9/h9-10H,2-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.88 | Datawarrior | 1 » 0 |
| 9.88 | OCHEM | 1 » 0 |
| 9.88 | AttenGpKa training set | 1 » 0 |
| 9.88 | OCHEM | 1 » 0 |
| 9.88 | QSARToolbox | 1 » 0 |