Molecule ID: mol7747
SMILES: NNc1cccc2cccnc12
InChI: InChI=1S/C9H9N3/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | QSARToolbox | 2 » 1 |
| 1.30 | IUPAC digitized pKa | 2 » 1 |
| 5.27 | QSARToolbox | 1 » 0 |
| 5.27 | IUPAC digitized pKa | 1 » 0 |
| 5.27 | OCHEM | 1 » 0 |
| 5.27 | OCHEM | 1 » 0 |