Molecule ID: mol2042
SMILES: N#Cc1ccc(C(=O)O)cc1
InChI: InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.53 | Datawarrior | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | Hunt | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | AttenGpKa training set | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |