Molecule ID: mol16017
SMILES: CC1CNCCN1
InChI: InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | QSARToolbox | 2 » 1 |
| 5.46 | Datawarrior | 2 » 1 |
| 5.46 | AttenGpKa training set | 2 » 1 |
| 9.90 | OCHEM | 1 » 0 |
| 9.90 | Datawarrior | 1 » 0 |
| 9.90 | AttenGpKa training set | 1 » 0 |