Molecule ID: mol16098
SMILES: O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1
InChI: InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | Baltruschat ChEMBL | 1 » 0 |