Molecule ID: mol6916
SMILES: Cc1cc(-c2ccccc2)[nH]n1
InChI: InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | IUPAC digitized pKa | 1 » 0 |
| 2.92 | AttenGpKa training set | 1 » 0 |
| 2.92 | AttenGpKa training set | 1 » 0 |
| 14.30 | AttenGpKa training set | 0 » -1 |
| 14.30 | AttenGpKa training set | 0 » -1 |