Molecule ID: mol21295
SMILES: CC1NC(NCC(F)F)=Nc2cccc(Cl)c21
InChI: InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | Baltruschat ChEMBL | 0 » -1 |