Molecule ID: mol19852
SMILES: Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n[nH]1
InChI: InChI=1S/C21H29N5O/c1-14-11-17(25-10-8-18(13-25)26-9-4-5-16(26)3)6-7-19(14)22-21(27)20-12-15(2)23-24-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)/t16-,18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.10 | Baltruschat ChEMBL | 0 » -1 |