Molecule ID: mol7742
SMILES: NNc1cnc2ccccc2c1
InChI: InChI=1S/C9H9N3/c10-12-8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.47 | IUPAC digitized pKa | 2 » 1 |
| 2.47 | QSARToolbox | 2 » 1 |
| 4.85 | QSARToolbox | 1 » 0 |
| 4.85 | IUPAC digitized pKa | 1 » 0 |
| 4.85 | OCHEM | 1 » 0 |
| 4.85 | OCHEM | 1 » 0 |