Molecule ID: mol8659
SMILES: O=C(NO)c1ccc(O)cc1
InChI: InChI=1S/C7H7NO3/c9-6-3-1-5(2-4-6)7(10)8-11/h1-4,9,11H,(H,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.93 | QSARToolbox | -1 » -2 |
| 8.95 | QSARToolbox | -1 » -2 |
| 9.05 | QSARToolbox | -1 » -2 |
| 9.06 | AttenGpKa training set | -1 » -2 |
| 9.06 | QSARToolbox | -1 » -2 |
| 9.06 | QSARToolbox | -1 » -2 |
| 9.40 | AttenGpKa training set | -1 » -2 |