Molecule ID: mol15317
SMILES: O=C1c2ccccc2CN1C1CC2CCC(C1)N2Cc1ccccc1
InChI: InChI=1S/C22H24N2O/c25-22-21-9-5-4-8-17(21)15-24(22)20-12-18-10-11-19(13-20)23(18)14-16-6-2-1-3-7-16/h1-9,18-20H,10-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | Datawarrior | 1 » 0 |
| 8.71 | OCHEM | 1 » 0 |
| 8.71 | QSARToolbox | 1 » 0 |