Molecule ID: mol19786
SMILES: COc1cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c(C)c1OC
InChI: InChI=1S/C17H17F2N3O4S/c1-9-13(20-7-14(24-2)15(9)25-3)8-27(23)17-21-11-5-4-10(26-16(18)19)6-12(11)22-17/h4-7,16H,8H2,1-3H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | Baltruschat ChEMBL | 2 » 1 |
| 8.35 | Baltruschat ChEMBL | 0 » -1 |