Molecule ID: mol2160
SMILES: O=[N+]([O-])c1cccc(O)c1
InChI: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.04 | IUPAC digitized pKa | 0 » -1 |
| 8.06 | QSARToolbox | 0 » -1 |
| 8.06 | QSARToolbox | 0 » -1 |
| 8.09 | QSARToolbox | 0 » -1 |
| 8.09 | QSARToolbox | 0 » -1 |
| 8.09 | QSARToolbox | 0 » -1 |
| 8.09 | QSARToolbox | 0 » -1 |
| 8.10 | IUPAC digitized pKa | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.12 | IUPAC digitized pKa | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.15 | IUPAC digitized pKa | 0 » -1 |
| 8.17 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | QSARToolbox | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |
| 8.25 | IUPAC digitized pKa | 0 » -1 |
| 8.26 | QSARToolbox | 0 » -1 |
| 8.26 | QSARToolbox | 0 » -1 |
| 8.28 | IUPAC digitized pKa | 0 » -1 |
| 8.30 | AttenGpKa training set | 0 » -1 |
| 8.30 | IUPAC digitized pKa | 0 » -1 |
| 8.31 | Datawarrior | 0 » -1 |
| 8.32 | QSARToolbox | 0 » -1 |
| 8.32 | QSARToolbox | 0 » -1 |
| 8.32 | QSARToolbox | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.35 | IUPAC digitized pKa | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 8.36 | IUPAC digitized pKa | 0 » -1 |
| 8.36 | OCHEM | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |
| 8.36 | IUPAC digitized pKa | 0 » -1 |
| 8.36 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.36 | OCHEM | 0 » -1 |
| 8.36 | OCHEM | 0 » -1 |
| 8.36 | OCHEM | 0 » -1 |
| 8.38 | Hunt | 0 » -1 |
| 8.38 | QSARToolbox | 0 » -1 |
| 8.38 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.42 | IUPAC digitized pKa | 0 » -1 |
| 8.42 | IUPAC digitized pKa | 0 » -1 |
| 8.48 | IUPAC digitized pKa | 0 » -1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 8.62 | IUPAC digitized pKa | 0 » -1 |
| 8.66 | IUPAC digitized pKa | 0 » -1 |