Molecule ID: mol19798
SMILES: COc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C
InChI: InChI=1S/C16H13F2N3O4S/c1-8-11(19-4-3-12(8)23-2)7-26(22)15-20-9-5-13-14(6-10(9)21-15)25-16(17,18)24-13/h3-6H,7H2,1-2H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | Baltruschat ChEMBL | 2 » 1 |
| 7.93 | Baltruschat ChEMBL | 1 » 0 |