Molecule ID: mol2479
SMILES: O=[N+]([O-])c1ccc(O)cc1
InChI: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | IUPAC digitized pKa | 0 » -1 |
| 6.87 | Baltruschat ChEMBL | 0 » -1 |
| 6.88 | IUPAC digitized pKa | 0 » -1 |
| 6.89 | IUPAC digitized pKa | 0 » -1 |
| 6.90 | Baltruschat ChEMBL | 0 » -1 |
| 6.91 | IUPAC digitized pKa | 0 » -1 |
| 6.96 | IUPAC digitized pKa | 0 » -1 |
| 6.96 | IUPAC digitized pKa | 0 » -1 |
| 6.98 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | OCHEM | 0 » -1 |
| 7.00 | Baltruschat ChEMBL | 0 » -1 |
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 7.02 | IUPAC digitized pKa | 0 » -1 |
| 7.05 | IUPAC digitized pKa | 0 » -1 |
| 7.08 | OCHEM | 0 » -1 |
| 7.10 | QSARToolbox | 0 » -1 |
| 7.10 | Baltruschat ChEMBL | 0 » -1 |
| 7.10 | IUPAC digitized pKa | 0 » -1 |
| 7.13 | Datawarrior | 0 » -1 |
| 7.13 | OCHEM | 0 » -1 |
| 7.14 | QSARToolbox | 0 » -1 |
| 7.14 | IUPAC digitized pKa | 0 » -1 |
| 7.14 | IUPAC digitized pKa | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | Hunt | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.15 | QSARToolbox | 0 » -1 |
| 7.15 | IUPAC digitized pKa | 0 » -1 |
| 7.16 | IUPAC digitized pKa | 0 » -1 |
| 7.16 | IUPAC digitized pKa | 0 » -1 |
| 7.19 | AttenGpKa training set | 0 » -1 |
| 7.22 | IUPAC digitized pKa | 0 » -1 |
| 7.28 | IUPAC digitized pKa | 0 » -1 |
| 7.29 | QSARToolbox | 0 » -1 |
| 7.35 | IUPAC digitized pKa | 0 » -1 |
| 7.43 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.62 | Baltruschat ChEMBL | 0 » -1 |
| 7.72 | IUPAC digitized pKa | 0 » -1 |