Molecule ID: mol7743
SMILES: NNc1ccnc2ccccc12
InChI: InChI=1S/C9H9N3/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-6H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.80 | IUPAC digitized pKa | 2 » 1 |
| 0.80 | QSARToolbox | 2 » 1 |
| 8.85 | IUPAC digitized pKa | 1 » 0 |
| 8.85 | OCHEM | 1 » 0 |
| 8.85 | QSARToolbox | 1 » 0 |