Molecule ID: mol3357
SMILES: Nc1cccc(O)c1
InChI: InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | IUPAC digitized pKa | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |
| 4.25 | AttenGpKa training set | 1 » 0 |
| 4.27 | OCHEM | 1 » 0 |
| 4.29 | Datawarrior | 1 » 0 |
| 4.29 | OCHEM | 1 » 0 |
| 4.30 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.82 | IUPAC digitized pKa | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.83 | QSARToolbox | 0 » -1 |
| 9.83 | QSARToolbox | 0 » -1 |
| 9.83 | QSARToolbox | 0 » -1 |
| 9.83 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | Datawarrior | 0 » -1 |
| 9.85 | OCHEM | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.86 | OCHEM | 0 » -1 |
| 9.86 | OCHEM | 0 » -1 |
| 9.86 | OCHEM | 0 » -1 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 9.90 | Baltruschat ChEMBL | 0 » -1 |
| 9.93 | AttenGpKa training set | 0 » -1 |
| 9.96 | IUPAC digitized pKa | 0 » -1 |