Molecule ID: mol1928
SMILES: O=C(O)C(Cl)(Cl)Cl
InChI: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.51 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 0.51 | OCHEM | 0 » -1 |
| 0.51 | Hunt | 0 » -1 |
| 0.51 | OCHEM | 0 » -1 |
| 0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.51 | OCHEM | 0 » -1 |
| 0.51 | OCHEM | 0 » -1 |
| 0.51 | OCHEM | 0 » -1 |
| 0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.53 | IUPAC digitized pKa | 0 » -1 |
| 0.53 | IUPAC digitized pKa | 0 » -1 |
| 0.53 | IUPAC digitized pKa | 0 » -1 |
| 0.54 | IUPAC digitized pKa | 0 » -1 |
| 0.62 | AttenGpKa training set | 0 » -1 |
| 0.64 | QSARToolbox | 0 » -1 |
| 0.65 | QSARToolbox | 0 » -1 |
| 0.66 | QSARToolbox | 0 » -1 |