Molecule ID: mol19785
SMILES: COc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1
InChI: InChI=1S/C15H11F2N3O4S/c1-22-9-2-3-18-8(4-9)7-25(21)14-19-10-5-12-13(6-11(10)20-14)24-15(16,17)23-12/h2-6H,7H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | Baltruschat ChEMBL | 2 » 1 |
| 7.92 | Baltruschat ChEMBL | 0 » -1 |