Molecule ID: mol10644
SMILES: COc1ccccc1C(=O)NO
InChI: InChI=1S/C8H9NO3/c1-12-7-5-3-2-4-6(7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.90 | IUPAC digitized pKa | 0 » -1 |
| 8.90 | Datawarrior | 0 » -1 |
| 8.90 | AttenGpKa training set | 0 » -1 |