Molecule ID: mol7745
SMILES: NNc1ccc2ncccc2c1
InChI: InChI=1S/C9H9N3/c10-12-8-3-4-9-7(6-8)2-1-5-11-9/h1-6,12H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 2 » 1 |
| 3.53 | IUPAC digitized pKa | 2 » 1 |
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | OCHEM | 1 » 0 |
| 5.50 | OCHEM | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |