Molecule ID: mol11864
SMILES: CC1(Cc2ccccc2)C(=O)NC(=O)C1C#N
InChI: InChI=1S/C13H12N2O2/c1-13(7-9-5-3-2-4-6-9)10(8-14)11(16)15-12(13)17/h2-6,10H,7H2,1H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.69 | AttenGpKa training set | 0 » -1 |