Molecule ID: mol5034
SMILES: Nc1nc2ccccc2c2ccccc12
InChI: InChI=1S/C13H10N2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.23 | IUPAC digitized pKa | 1 » 0 |
| 7.23 | QSARToolbox | 1 » 0 |
| 7.27 | QSARToolbox | 1 » 0 |
| 7.27 | IUPAC digitized pKa | 1 » 0 |
| 7.31 | OCHEM | 1 » 0 |
| 7.31 | QSARToolbox | 1 » 0 |
| 7.31 | Datawarrior | 1 » 0 |
| 7.31 | AttenGpKa training set | 1 » 0 |