Molecule ID: mol8379
SMILES: Cc1ccc2nc3ccccc3cc2c1
InChI: InChI=1S/C14H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | AttenGpKa training set | 1 » 0 |
| 5.74 | QSARToolbox | 1 » 0 |
| 5.74 | IUPAC digitized pKa | 1 » 0 |
| 5.74 | OCHEM | 1 » 0 |