Molecule ID: mol3356
SMILES: Nc1ccccc1O
InChI: InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | Datawarrior | 1 » 0 |
| 4.55 | OCHEM | 1 » 0 |
| 4.65 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.72 | IUPAC digitized pKa | 1 » 0 |
| 4.74 | IUPAC digitized pKa | 1 » 0 |
| 4.76 | OCHEM | 1 » 0 |
| 4.78 | AttenGpKa training set | 1 » 0 |
| 4.78 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |
| 9.66 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | Baltruschat ChEMBL | 0 » -1 |
| 9.71 | IUPAC digitized pKa | 0 » -1 |
| 9.71 | Datawarrior | 0 » -1 |
| 9.71 | OCHEM | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.75 | OCHEM | 0 » -1 |
| 9.75 | OCHEM | 0 » -1 |
| 9.96 | IUPAC digitized pKa | 0 » -1 |
| 9.97 | IUPAC digitized pKa | 0 » -1 |
| 9.97 | QSARToolbox | 0 » -1 |
| 9.98 | AttenGpKa training set | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |