Molecule ID: mol12081
SMILES: CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(N)=O
InChI: InChI=1S/C16H14N2O3/c1-16(12(13(17)19)14(20)18-15(16)21)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H2,17,19)(H,18,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | AttenGpKa training set | 0 » -1 |