Molecule ID: mol10044
SMILES: O=C(O)c1cc(Cl)c(O)c(Cl)c1
InChI: InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | AttenGpKa training set | 0 » -1 |
| 5.97 | QSARToolbox | -1 » -2 |
| 5.97 | QSARToolbox | -1 » -2 |
| 5.97 | IUPAC digitized pKa | -1 » -2 |
| 5.97 | OCHEM | -1 » -2 |