Molecule ID: mol34318
SMILES: CC(=O)Nc1cnc(-c2ccccc2)cn1
InChI: InChI=1S/C12H11N3O/c1-9(16)15-12-8-13-11(7-14-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.56 | QSARToolbox | 0 » -1 |
| 12.60 | QSARToolbox | 0 » -1 |