Molecule ID: mol2549
SMILES: N#Cc1cccc(O)c1
InChI: InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.57 | QSARToolbox | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | AttenGpKa training set | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.61 | IUPAC digitized pKa | 0 » -1 |
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | Hunt | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.63 | Datawarrior | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.66 | QSARToolbox | 0 » -1 |
| 8.66 | QSARToolbox | 0 » -1 |
| 9.88 | QSARToolbox | 0 » -1 |
| 9.88 | QSARToolbox | 0 » -1 |