Molecule ID: mol15590
SMILES: COc1c(C)cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChI: InChI=1S/C23H28N2O2/c1-16-7-6-10-21(22(16)27-2)23(26)24-18-13-19-11-12-20(14-18)25(19)15-17-8-4-3-5-9-17/h3-10,18-20H,11-15H2,1-2H3,(H,24,26)/t18-,19-,20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.92 | Datawarrior | 1 » 0 |
| 8.92 | QSARToolbox | 1 » 0 |