Molecule ID: mol3918
SMILES: Cn1cnc(-c2ccccc2)c1
InChI: InChI=1S/C10H10N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.78 | IUPAC digitized pKa | 1 » 0 |
| 5.78 | OCHEM | 1 » 0 |
| 5.78 | OCHEM | 1 » 0 |
| 5.79 | QSARToolbox | 1 » 0 |