Molecule ID: mol15626
SMILES: C/C=C1/CN2[C@@H]3C[C@H]1C1[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@@H]34
InChI: InChI=1S/C20H24N2O/c1-3-11-10-22-15-8-12(11)17-16(22)9-20(19(17)23)13-6-4-5-7-14(13)21(2)18(15)20/h3-7,12,15-19,23H,8-10H2,1-2H3/b11-3-/t12-,15-,16+,17?,18+,19-,20-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Datawarrior | 1 » 0 |