Molecule ID: mol14826
SMILES: CC(=O)Nc1cccc2nc3ccccc3cc12
InChI: InChI=1S/C15H12N2O/c1-10(18)16-14-7-4-8-15-12(14)9-11-5-2-3-6-13(11)17-15/h2-9H,1H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Datawarrior | 1 » 0 |
| 4.40 | AttenGpKa training set | 1 » 0 |
| 4.40 | QSARToolbox | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |