Molecule ID: mol2263
SMILES: O=C(O)c1c(Cl)ccc(Cl)c1Cl
InChI: InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.50 | OCHEM | 0 » -1 |
| 1.50 | Hunt | 0 » -1 |
| 1.50 | OCHEM | 0 » -1 |
| 1.50 | OCHEM | 0 » -1 |
| 1.50 | OCHEM | 0 » -1 |
| 1.50 | QSARToolbox | 0 » -1 |
| 1.50 | AttenGpKa training set | 0 » -1 |