Molecule ID: mol19792
SMILES: COc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1OC
InChI: InChI=1S/C16H13F2N3O5S/c1-23-11-3-4-19-10(14(11)24-2)7-27(22)15-20-8-5-12-13(6-9(8)21-15)26-16(17,18)25-12/h3-6H,7H2,1-2H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | Baltruschat ChEMBL | 2 » 1 |
| 7.97 | Baltruschat ChEMBL | 0 » -1 |