Molecule ID: mol21289
SMILES: COc1c(Cl)ccc2c1C(C)NC(NCC(F)F)=N2
InChI: InChI=1S/C12H14ClF2N3O/c1-6-10-8(4-3-7(13)11(10)19-2)18-12(17-6)16-5-9(14)15/h3-4,6,9H,5H2,1-2H3,(H2,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | Baltruschat ChEMBL | 1 » 0 |