Molecule ID: mol14550
SMILES: O=C(CN1CCCCC1)Nc1ccccc1
InChI: InChI=1S/C13H18N2O/c16-13(11-15-9-5-2-6-10-15)14-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | QSARToolbox | 1 » 0 |
| 7.85 | Datawarrior | 1 » 0 |