Molecule ID: mol2976
SMILES: O=C(NC(=O)c1ccccc1)c1ccccc1
InChI: InChI=1S/C14H11NO2/c16-13(11-7-3-1-4-8-11)15-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | AttenGpKa training set | 0 » -1 |
| 9.90 | Novartis | 0 » -1 |