Molecule ID: mol9639
SMILES: O=Nc1ccc(O)cc1
InChI: InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | OCHEM | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |
| 6.20 | Datawarrior | 0 » -1 |
| 6.35 | QSARToolbox | 0 » -1 |
| 6.36 | AttenGpKa training set | 0 » -1 |
| 6.36 | IUPAC digitized pKa | 0 » -1 |
| 6.48 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.48 | OCHEM | 0 » -1 |
| 6.48 | OCHEM | 0 » -1 |