Molecule ID: mol786
SMILES: O=[N+]([O-])c1cc(-c2ccccc2)ccc1O
InChI: InChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.73 | IUPAC digitized pKa | 0 » -1 |
| 6.73 | Datawarrior | 0 » -1 |
| 6.73 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | Hunt | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | AttenGpKa training set | 0 » -1 |
| 6.73 | QSARToolbox | 0 » -1 |
| 6.73 | QSARToolbox | 0 » -1 |
| 6.73 | QSARToolbox | 0 » -1 |