Molecule ID: mol2324
SMILES: COc1ccc(C(=O)NO)cc1
InChI: InChI=1S/C8H9NO3/c1-12-7-4-2-6(3-5-7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.14 | QSARToolbox | 0 » -1 |
| 8.76 | QSARToolbox | 0 » -1 |
| 8.91 | IUPAC digitized pKa | 0 » -1 |
| 8.97 | QSARToolbox | 0 » -1 |
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | Hunt | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | AttenGpKa training set | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.03 | IUPAC digitized pKa | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |