Molecule ID: mol13527
SMILES: CN1C2CCC(C2)N1C
InChI: InChI=1S/C7H14N2/c1-8-6-3-4-7(5-6)9(8)2/h6-7H,3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.89 | QSARToolbox | 2 » 1 |
| 6.89 | OCHEM | 2 » 1 |
| 6.89 | Datawarrior | 2 » 1 |
| 6.89 | AttenGpKa training set | 2 » 1 |