Molecule ID: mol29635
SMILES: NC(=O)N1c2ccccc2C=Cc2ccccc21
InChI: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | OCHEM | 1 » 0 |
| 13.94 | AttenGpKa training set | 0 » -1 |
| 14.00 | OCHEM | 0 » -1 |