Molecule ID: mol704
SMILES: O=C(COc1ccc(Cl)cc1)NO
InChI: InChI=1S/C8H8ClNO3/c9-6-1-3-7(4-2-6)13-5-8(11)10-12/h1-4,12H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | IUPAC digitized pKa | 0 » -1 |
| 8.75 | Hunt | 0 » -1 |
| 8.75 | QSARToolbox | 0 » -1 |
| 8.75 | AttenGpKa training set | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |