Molecule ID: mol14518
SMILES: Cn1c(-c2ccccn2)nc2ccccc21
InChI: InChI=1S/C13H11N3/c1-16-12-8-3-2-6-10(12)15-13(16)11-7-4-5-9-14-11/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.27 | Datawarrior | 2 » 1 |
| 4.47 | OCHEM | 1 » 0 |
| 4.47 | Datawarrior | 1 » 0 |