Molecule ID: mol31615
SMILES: O/N=C(\c1ccccc1)c1ccccn1
InChI: InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H/b14-12+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | AttenGpKa training set | 1 » 0 |
| 11.10 | AttenGpKa training set | 0 » -1 |