Molecule ID: mol19857
SMILES: Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccco1
InChI: InChI=1S/C21H27N3O2/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h4,6-8,12-13,16,18H,3,5,9-11,14H2,1-2H3,(H,22,25)/t16-,18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | Baltruschat ChEMBL | 1 » 0 |