Molecule ID: mol15112
SMILES: Cc1nccc2c1[nH]c1ccccc12
InChI: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.55 | Datawarrior | 1 » 0 |
| 6.55 | QSARToolbox | 1 » 0 |
| 6.55 | OCHEM | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |
| 14.50 | Datawarrior | 0 » -1 |
| 14.50 | OCHEM | 0 » -1 |
| 14.50 | QSARToolbox | 0 » -1 |
| 14.60 | AttenGpKa training set | 0 » -1 |