Molecule ID: mol12386
SMILES: O=CN1CCNCC1
InChI: InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | QSARToolbox | 1 » 0 |
| 7.89 | AttenGpKa training set | 1 » 0 |
| 7.93 | QSARToolbox | 1 » 0 |
| 7.97 | QSARToolbox | 1 » 0 |
| 7.98 | Datawarrior | 1 » 0 |
| 7.98 | OCHEM | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |