Molecule ID: mol713
SMILES: Cc1ccc(C(=O)NO)cc1
InChI: InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)8(10)9-11/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.89 | QSARToolbox | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.90 | Datawarrior | 0 » -1 |
| 8.90 | Hunt | 0 » -1 |
| 8.93 | IUPAC digitized pKa | 0 » -1 |
| 8.93 | IUPAC digitized pKa | 0 » -1 |
| 8.93 | QSARToolbox | 0 » -1 |
| 8.95 | AttenGpKa training set | 0 » -1 |
| 9.05 | IUPAC digitized pKa | 0 » -1 |