Molecule ID: mol12364
SMILES: CN1CC=CCN1C
InChI: InChI=1S/C6H12N2/c1-7-5-3-4-6-8(7)2/h3-4H,5-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | Datawarrior | 1 » 0 |
| 5.70 | AttenGpKa training set | 1 » 0 |