Molecule ID: mol3786
SMILES: c1cncc(-c2ccncc2)c1
InChI: InChI=1S/C10H8N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | IUPAC digitized pKa | 2 » 1 |
| 3.00 | QSARToolbox | 2 » 1 |
| 3.00 | QSARToolbox | 2 » 1 |
| 4.85 | OCHEM | 1 » 0 |
| 4.85 | QSARToolbox | 1 » 0 |
| 4.85 | IUPAC digitized pKa | 1 » 0 |
| 4.85 | Datawarrior | 1 » 0 |
| 4.85 | OCHEM | 1 » 0 |