Molecule ID: mol1229
SMILES: CCN1CC1
InChI: InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.09 | QSARToolbox | 1 » 0 |
| 7.91 | OCHEM | 1 » 0 |
| 7.91 | Datawarrior | 1 » 0 |
| 7.93 | QSARToolbox | 1 » 0 |
| 7.93 | IUPAC digitized pKa | 1 » 0 |
| 7.93 | OCHEM | 1 » 0 |
| 7.93 | Hunt | 1 » 0 |
| 7.93 | OCHEM | 1 » 0 |
| 7.93 | AttenGpKa training set | 1 » 0 |