Molecule ID: mol13375
SMILES: NC1CCN(Cc2ccccc2)CC1
InChI: InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | Datawarrior | 2 » 1 |
| 7.05 | QSARToolbox | 2 » 1 |
| 9.79 | Datawarrior | 1 » 0 |
| 9.79 | OCHEM | 1 » 0 |