Molecule ID: mol2012
SMILES: O=C(O)c1cc(Cl)cc(Cl)c1
InChI: InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | AttenGpKa training set | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | Hunt | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |