Molecule ID: mol14818
SMILES: Oc1onc2c1CCN(Cc1ccccc1)CC2
InChI: InChI=1S/C14H16N2O2/c17-14-12-6-8-16(9-7-13(12)15-18-14)10-11-4-2-1-3-5-11/h1-5,17H,6-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | Datawarrior | 1 » 0 |
| 3.30 | OCHEM | 1 » 0 |
| 8.00 | Datawarrior | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |