Molecule ID: mol5062
SMILES: Cc1nc2cc3ccccc3cc2[nH]1
InChI: InChI=1S/C12H10N2/c1-8-13-11-6-9-4-2-3-5-10(9)7-12(11)14-8/h2-7H,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.02 | AttenGpKa training set | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 12.73 | AttenGpKa training set | 0 » -1 |
| 12.90 | IUPAC digitized pKa | 0 » -1 |