Molecule ID: mol785
SMILES: O=[N+]([O-])c1ccc(-c2ccccc2)cc1O
InChI: InChI=1S/C12H9NO3/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.73 | OCHEM | 0 » -1 |
| 6.74 | QSARToolbox | 0 » -1 |
| 6.74 | QSARToolbox | 0 » -1 |
| 6.74 | IUPAC digitized pKa | 0 » -1 |
| 6.74 | Hunt | 0 » -1 |
| 6.74 | OCHEM | 0 » -1 |
| 6.74 | AttenGpKa training set | 0 » -1 |