Molecule ID: mol882
SMILES: N#Cc1cccc(C(=O)O)c1
InChI: InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | QSARToolbox | 0 » -1 |
| 3.59 | QSARToolbox | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | Hunt | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | Datawarrior | 0 » -1 |
| 3.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | AttenGpKa training set | 0 » -1 |
| 3.61 | QSARToolbox | 0 » -1 |