Molecule ID: mol1339
SMILES: Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChI: InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | OCHEM | 1 » 0 |
| 3.74 | IUPAC digitized pKa | 1 » 0 |
| 3.74 | Hunt | 1 » 0 |
| 3.74 | QSARToolbox | 1 » 0 |