Molecule ID: mol19791
SMILES: COc1cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)cc1OC
InChI: InChI=1S/C16H15F2N3O4S/c1-23-13-5-9(19-7-14(13)24-2)8-26(22)16-20-11-4-3-10(25-15(17)18)6-12(11)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | Baltruschat ChEMBL | 2 » 1 |
| 8.03 | Baltruschat ChEMBL | 0 » -1 |