Molecule ID: mol14827
SMILES: CC(=O)Nc1ccc2cc3ccccc3nc2c1
InChI: InChI=1S/C15H12N2O/c1-10(18)16-13-7-6-12-8-11-4-2-3-5-14(11)17-15(12)9-13/h2-9H,1H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | Datawarrior | 1 » 0 |
| 5.60 | AttenGpKa training set | 1 » 0 |