Molecule ID: mol475
SMILES: O=C(NO)c1ccccc1
InChI: InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.71 | Datawarrior | 0 » -1 |
| 8.71 | OCHEM | 0 » -1 |
| 8.75 | QSARToolbox | 0 » -1 |
| 8.75 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.81 | AttenGpKa training set | 0 » -1 |
| 8.81 | QSARToolbox | 0 » -1 |
| 8.81 | QSARToolbox | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.88 | OCHEM | 0 » -1 |
| 8.88 | Hunt | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |