Molecule ID: mol21383
SMILES: O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C(=O)N1C1CC1
InChI: InChI=1S/C23H25FN4O4S/c24-19-7-8-20(25-21(19)14-26-9-11-33(31,32)12-10-26)17-3-1-16(2-4-17)13-27-15-22(29)28(23(27)30)18-5-6-18/h1-4,7-8,18H,5-6,9-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | Baltruschat ChEMBL | 2 » 1 |