Molecule ID: mol13794
SMILES: CCOC(=O)C1CC2CCN1CC2
InChI: InChI=1S/C10H17NO2/c1-2-13-10(12)9-7-8-3-5-11(9)6-4-8/h8-9H,2-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | AttenGpKa training set | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |