Molecule ID: mol32063
SMILES: FC(F)C/N=C/Nc1ccc(-c2c[nH]cn2)cc1
InChI: InChI=1S/C12H12F2N4/c13-12(14)6-16-7-17-10-3-1-9(2-4-10)11-5-15-8-18-11/h1-5,7-8,12H,6H2,(H,15,18)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | OCHEM | 2 » 1 |
| 6.60 | OCHEM | 1 » 0 |