Molecule ID: mol14829
SMILES: CC(=O)Nc1cccc2cc3ccccc3nc12
InChI: InChI=1S/C15H12N2O/c1-10(18)16-14-8-4-6-12-9-11-5-2-3-7-13(11)17-15(12)14/h2-9H,1H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Datawarrior | 1 » 0 |
| 3.00 | OCHEM | 1 » 0 |
| 3.00 | QSARToolbox | 1 » 0 |
| 3.00 | AttenGpKa training set | 1 » 0 |