Molecule ID: mol13192
SMILES: COC1CC2CCN1CC2
InChI: InChI=1S/C8H15NO/c1-10-8-6-7-2-4-9(8)5-3-7/h7-8H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.87 | QSARToolbox | 1 » 0 |
| 8.87 | OCHEM | 1 » 0 |
| 8.87 | Datawarrior | 1 » 0 |
| 8.87 | AttenGpKa training set | 1 » 0 |