Molecule ID: mol14799
SMILES: COc1ccc(C=O)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChI: InChI=1S/C23H26N2O3/c1-28-22-10-7-17(15-26)11-21(22)23(27)24-18-12-19-8-9-20(13-18)25(19)14-16-5-3-2-4-6-16/h2-7,10-11,15,18-20H,8-9,12-14H2,1H3,(H,24,27)/t18-,19-,20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.74 | QSARToolbox | 1 » 0 |
| 8.74 | Datawarrior | 1 » 0 |