Molecule ID: mol3858
SMILES: O=C(O)c1ccc[nH]1
InChI: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | QSARToolbox | 0 » -1 |
| 4.22 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.36 | AttenGpKa training set | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |