Molecule ID: mol10554
SMILES: O=C(O)COc1cccc(Cl)c1
InChI: InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | IUPAC digitized pKa | 0 » -1 |
| 2.97 | IUPAC digitized pKa | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 3.04 | IUPAC digitized pKa | 0 » -1 |
| 3.04 | AttenGpKa training set | 0 » -1 |
| 3.06 | OCHEM | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.07 | OCHEM | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |