Molecule ID: mol12076
SMILES: CC1(c2ccc3ccccc3c2)C(=O)NC(=O)C1C#N
InChI: InChI=1S/C16H12N2O2/c1-16(13(9-17)14(19)18-15(16)20)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,1H3,(H,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.25 | AttenGpKa training set | 0 » -1 |