Molecule ID: mol1422
SMILES: N#Cc1ccc(O)cc1
InChI: InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | IUPAC digitized pKa | 0 » -1 |
| 7.74 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | IUPAC digitized pKa | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 7.89 | Datawarrior | 0 » -1 |
| 7.91 | AttenGpKa training set | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.95 | Hunt | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.97 | IUPAC digitized pKa | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.97 | IUPAC digitized pKa | 0 » -1 |
| 7.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.17 | QSARToolbox | 0 » -1 |
| 8.17 | QSARToolbox | 0 » -1 |
| 8.17 | QSARToolbox | 0 » -1 |
| 8.17 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.31 | QSARToolbox | 0 » -1 |
| 9.31 | QSARToolbox | 0 » -1 |
| 9.31 | QSARToolbox | 0 » -1 |
| 9.31 | QSARToolbox | 0 » -1 |