Molecule ID: mol21384
SMILES: CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C1=O
InChI: InChI=1S/C24H29FN4O4S/c1-17(2)13-29-23(30)16-28(24(29)31)14-18-3-5-19(6-4-18)21-8-7-20(25)22(26-21)15-27-9-11-34(32,33)12-10-27/h3-8,17H,9-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 2 » 1 |