Molecule ID: mol7741
SMILES: NNc1ccc2ccccc2n1
InChI: InChI=1S/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 7.82 | IUPAC digitized pKa | 1 » 0 |
| 7.82 | OCHEM | 1 » 0 |
| 7.82 | QSARToolbox | 1 » 0 |