Molecule ID: mol1564
SMILES: CC(=O)c1ccc(-c2ccc(N)cc2)cc1
InChI: InChI=1S/C14H13NO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 1 » 0 |
| 3.98 | Hunt | 1 » 0 |
| 4.09 | AttenGpKa training set | 1 » 0 |