Molecule ID: mol6903
SMILES: Oc1ccn(-c2ccccc2)n1
InChI: InChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.46 | IUPAC digitized pKa | 1 » 0 |
| 7.54 | AttenGpKa training set | 0 » -1 |
| 7.72 | IUPAC digitized pKa | 0 » -1 |