Molecule ID: mol21293
SMILES: C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c21
InChI: InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | OCHEM | 0 » -1 |
| 8.50 | Baltruschat ChEMBL | 0 » -1 |