Molecule ID: mol5022
SMILES: Nc1cccc2c1ccc1ncccc12
InChI: InChI=1S/C13H10N2/c14-12-5-1-3-9-10(12)6-7-13-11(9)4-2-8-15-13/h1-8H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.16 | QSARToolbox | 1 » 0 |
| 5.16 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | Datawarrior | 1 » 0 |
| 5.20 | AttenGpKa training set | 1 » 0 |