Molecule ID: mol10072
SMILES: O=C(OO)c1cccc(Cl)c1
InChI: InChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | AttenGpKa training set | 0 » -1 |
| 7.51 | QSARToolbox | 0 » -1 |
| 7.51 | QSARToolbox | 0 » -1 |
| 7.57 | IUPAC digitized pKa | 0 » -1 |
| 7.57 | OCHEM | 0 » -1 |