Molecule ID: mol32065
SMILES: CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1
InChI: InChI=1S/C12H14N4/c1-2-13-8-15-11-5-3-10(4-6-11)12-7-14-9-16-12/h3-9H,2H2,1H3,(H,13,15)(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | OCHEM | 2 » 1 |
| 8.65 | OCHEM | 1 » 0 |