Molecule ID: mol439
SMILES: O=C(O)Cc1c(Cl)ccc(Cl)c1Cl
InChI: InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | Hunt | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |