Molecule ID: mol14011
SMILES: O=C1NC(=O)c2ccccc21
InChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.39 | AttenGpKa training set | 0 » -1 |
| 9.79 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | OCHEM | 0 » -1 |
| 9.90 | OCHEM | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | Datawarrior | 0 » -1 |
| 10.06 | QSARToolbox | 0 » -1 |