Molecule ID: mol10972
SMILES: O=C(O)CCOc1ccc(Cl)cc1Cl
InChI: InChI=1S/C9H8Cl2O3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |