Molecule ID: mol2159
SMILES: O=[N+]([O-])c1ccccc1O
InChI: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.93 | IUPAC digitized pKa | 0 » -1 |
| 6.97 | IUPAC digitized pKa | 0 » -1 |
| 6.99 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.04 | IUPAC digitized pKa | 0 » -1 |
| 7.04 | IUPAC digitized pKa | 0 » -1 |
| 7.06 | IUPAC digitized pKa | 0 » -1 |
| 7.08 | QSARToolbox | 0 » -1 |
| 7.08 | QSARToolbox | 0 » -1 |
| 7.08 | IUPAC digitized pKa | 0 » -1 |
| 7.08 | IUPAC digitized pKa | 0 » -1 |
| 7.09 | IUPAC digitized pKa | 0 » -1 |
| 7.14 | IUPAC digitized pKa | 0 » -1 |
| 7.15 | Datawarrior | 0 » -1 |
| 7.16 | QSARToolbox | 0 » -1 |
| 7.16 | QSARToolbox | 0 » -1 |
| 7.16 | QSARToolbox | 0 » -1 |
| 7.16 | QSARToolbox | 0 » -1 |
| 7.17 | QSARToolbox | 0 » -1 |
| 7.17 | QSARToolbox | 0 » -1 |
| 7.18 | IUPAC digitized pKa | 0 » -1 |
| 7.20 | AttenGpKa training set | 0 » -1 |
| 7.21 | IUPAC digitized pKa | 0 » -1 |
| 7.21 | Hunt | 0 » -1 |
| 7.21 | QSARToolbox | 0 » -1 |
| 7.21 | QSARToolbox | 0 » -1 |
| 7.22 | QSARToolbox | 0 » -1 |
| 7.22 | IUPAC digitized pKa | 0 » -1 |
| 7.22 | IUPAC digitized pKa | 0 » -1 |
| 7.22 | OCHEM | 0 » -1 |
| 7.23 | OCHEM | 0 » -1 |
| 7.23 | IUPAC digitized pKa | 0 » -1 |
| 7.23 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.23 | OCHEM | 0 » -1 |
| 7.23 | OCHEM | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.25 | IUPAC digitized pKa | 0 » -1 |
| 7.25 | QSARToolbox | 0 » -1 |
| 7.28 | QSARToolbox | 0 » -1 |
| 7.28 | QSARToolbox | 0 » -1 |
| 7.29 | IUPAC digitized pKa | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.35 | IUPAC digitized pKa | 0 » -1 |
| 7.42 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.82 | IUPAC digitized pKa | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 8.65 | QSARToolbox | 0 » -1 |
| 10.17 | QSARToolbox | 0 » -1 |
| 11.11 | QSARToolbox | 0 » -1 |