Molecule ID: mol12165
SMILES: N#CC1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1
InChI: InChI=1S/C17H12N2O2/c18-11-14-15(20)19-16(21)17(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,(H,19,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | AttenGpKa training set | 0 » -1 |