Molecule ID: mol15162
SMILES: OCCNC1CCN(Cc2ccccc2)CC1
InChI: InChI=1S/C14H22N2O/c17-11-8-15-14-6-9-16(10-7-14)12-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.67 | Datawarrior | 2 » 1 |
| 6.67 | QSARToolbox | 2 » 1 |
| 9.24 | OCHEM | 1 » 0 |
| 9.24 | Datawarrior | 1 » 0 |