Molecule ID: mol879
SMILES: N#Cc1ccccc1C(=O)O
InChI: InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | AttenGpKa training set | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | Hunt | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |
| 3.14 | QSARToolbox | 0 » -1 |