Molecule ID: mol539
SMILES: Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1
InChI: InChI=1S/C24H27F3N4O3S/c1-15-11-13-18(14-12-15)35(33,34)30-21-19(22(32)28-16(2)23(3,4)5)20(24(25,26)27)29-31(21)17-9-7-6-8-10-17/h6-14,16,30H,1-5H3,(H,28,32)/t16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Hunt | 0 » -1 |