Molecule ID: mol18481
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C32H32ClF3N4O5S/c1-3-4-14-28-37-30(33)27(19-29(41)45-2)40(28)21-23-15-17-24(18-16-23)39(20-22-10-6-5-7-11-22)31(42)25-12-8-9-13-26(25)38-46(43,44)32(34,35)36/h5-13,15-18,38H,3-4,14,19-21H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 0 » -1 |