Molecule ID: mol446
SMILES: N#Cc1ccccc1O
InChI: InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.86 | IUPAC digitized pKa | 0 » -1 |
| 6.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.86 | OCHEM | 0 » -1 |
| 6.86 | OCHEM | 0 » -1 |
| 6.86 | OCHEM | 0 » -1 |
| 6.86 | OCHEM | 0 » -1 |
| 6.86 | OCHEM | 0 » -1 |
| 6.86 | QSARToolbox | 0 » -1 |
| 6.86 | QSARToolbox | 0 » -1 |
| 6.86 | QSARToolbox | 0 » -1 |
| 6.90 | IUPAC digitized pKa | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.98 | OCHEM | 0 » -1 |
| 6.98 | Hunt | 0 » -1 |
| 7.22 | QSARToolbox | 0 » -1 |
| 7.24 | AttenGpKa training set | 0 » -1 |
| 7.32 | Datawarrior | 0 » -1 |
| 7.32 | OCHEM | 0 » -1 |
| 7.54 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |