Molecule ID: mol11282
SMILES: O=C(O)c1nccc2ccccc12
InChI: InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.97 | QSARToolbox | 0 » -1 |
| 4.97 | QSARToolbox | 0 » -1 |
| 4.97 | OCHEM | 0 » -1 |
| 4.97 | IUPAC digitized pKa | 0 » -1 |
| 4.97 | Datawarrior | 0 » -1 |