Molecule ID: mol5026
SMILES: Nc1cnc2cc3ccccc3cc2c1
InChI: InChI=1S/C13H10N2/c14-12-6-11-5-9-3-1-2-4-10(9)7-13(11)15-8-12/h1-8H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.74 | QSARToolbox | 1 » 0 |
| 4.74 | IUPAC digitized pKa | 1 » 0 |
| 4.74 | OCHEM | 1 » 0 |
| 4.78 | Datawarrior | 1 » 0 |
| 4.78 | AttenGpKa training set | 1 » 0 |
| 4.78 | OCHEM | 1 » 0 |
| 4.78 | QSARToolbox | 1 » 0 |