Molecule ID: mol7744
SMILES: NNc1cccc2ncccc12
InChI: InChI=1S/C9H9N3/c10-12-9-5-1-4-8-7(9)3-2-6-11-8/h1-6,12H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | IUPAC digitized pKa | 2 » 1 |
| 3.50 | OCHEM | 2 » 1 |
| 3.50 | QSARToolbox | 2 » 1 |
| 5.36 | IUPAC digitized pKa | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.36 | QSARToolbox | 1 » 0 |