Molecule ID: mol32066
SMILES: FCC/N=C/Nc1ccc(-c2c[nH]cn2)cc1
InChI: InChI=1S/C12H13FN4/c13-5-6-14-8-16-11-3-1-10(2-4-11)12-7-15-9-17-12/h1-4,7-9H,5-6H2,(H,14,16)(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.55 | OCHEM | 2 » 1 |
| 8.12 | OCHEM | 1 » 0 |