Molecule ID: mol19858
SMILES: Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccoc1
InChI: InChI=1S/C21H27N3O2/c1-15-12-18(5-6-20(15)22-21(25)17-8-11-26-14-17)23-10-7-19(13-23)24-9-3-4-16(24)2/h5-6,8,11-12,14,16,19H,3-4,7,9-10,13H2,1-2H3,(H,22,25)/t16-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | Baltruschat ChEMBL | 1 » 0 |