Molecule ID: mol19765
SMILES: Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(S(C)(=O)=O)cc(F)c2n1CC(=O)O
InChI: InChI=1S/C23H20FN3O5S/c1-14-22(19-8-9-20(28)27(25-19)12-15-6-4-3-5-7-15)17-10-16(33(2,31)32)11-18(24)23(17)26(14)13-21(29)30/h3-11H,12-13H2,1-2H3,(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.83 | Baltruschat ChEMBL | 0 » -1 |