Molecule ID: mol3358
SMILES: Nc1ccc(O)cc1
InChI: InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | QSARToolbox | 1 » 0 |
| 5.29 | IUPAC digitized pKa | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |
| 5.38 | IUPAC digitized pKa | 1 » 0 |
| 5.48 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.48 | OCHEM | 1 » 0 |
| 5.48 | OCHEM | 1 » 0 |
| 5.49 | QSARToolbox | 1 » 0 |
| 5.49 | QSARToolbox | 1 » 0 |
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.52 | QSARToolbox | 1 » 0 |
| 5.52 | QSARToolbox | 1 » 0 |
| 5.54 | Datawarrior | 1 » 0 |
| 5.54 | OCHEM | 1 » 0 |
| 5.55 | IUPAC digitized pKa | 1 » 0 |
| 5.55 | QSARToolbox | 1 » 0 |
| 5.55 | QSARToolbox | 1 » 0 |
| 5.58 | OCHEM | 1 » 0 |
| 5.58 | AttenGpKa training set | 1 » 0 |
| 5.65 | IUPAC digitized pKa | 1 » 0 |
| 5.65 | QSARToolbox | 1 » 0 |
| 5.65 | QSARToolbox | 1 » 0 |
| 5.65 | QSARToolbox | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 8.25 | QSARToolbox | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 10.06 | Datawarrior | 0 » -1 |
| 10.06 | OCHEM | 0 » -1 |
| 10.30 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | Baltruschat ChEMBL | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.31 | AttenGpKa training set | 0 » -1 |
| 10.40 | IUPAC digitized pKa | 0 » -1 |
| 10.44 | IUPAC digitized pKa | 0 » -1 |
| 10.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.45 | OCHEM | 0 » -1 |
| 10.45 | OCHEM | 0 » -1 |
| 10.45 | OCHEM | 0 » -1 |
| 10.46 | IUPAC digitized pKa | 0 » -1 |