Molecule ID: mol11552
SMILES: O=C(NO)c1cccc2ccccc12
InChI: InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |
| 7.70 | Datawarrior | 0 » -1 |
| 7.75 | AttenGpKa training set | 0 » -1 |