Molecule ID: mol14212
SMILES: O=C(/C=N/O)c1ccccc1
InChI: InChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.25 | AttenGpKa training set | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.31 | Datawarrior | 0 » -1 |