Molecule ID: mol172
SMILES: CN1CC1
InChI: InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | IUPAC digitized pKa | 1 » 0 |
| 7.86 | Datawarrior | 1 » 0 |
| 7.86 | OCHEM | 1 » 0 |
| 7.86 | AttenGpKa training set | 1 » 0 |
| 7.86 | OCHEM | 1 » 0 |
| 7.86 | QSARToolbox | 1 » 0 |
| 7.86 | QSARToolbox | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Hunt | 1 » 0 |
| 7.90 | Settimo | 1 » 0 |