Molecule ID: mol11865
SMILES: CCC1(c2ccccc2)C(=O)NC(=O)C1C#N
InChI: InChI=1S/C13H12N2O2/c1-2-13(9-6-4-3-5-7-9)10(8-14)11(16)15-12(13)17/h3-7,10H,2H2,1H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | AttenGpKa training set | 0 » -1 |