Molecule ID: mol10177
SMILES: Nc1ccccc1C(=O)NO
InChI: InChI=1S/C7H8N2O2/c8-6-4-2-1-3-5(6)7(10)9-11/h1-4,11H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.17 | AttenGpKa training set | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |