Molecule ID: mol23960
SMILES: CC(=O)Nc1ccc(-c2cccc(N)c2)cc1
InChI: InChI=1S/C14H14N2O/c1-10(17)16-14-7-5-11(6-8-14)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | AttenGpKa training set | 1 » 0 |