Molecule ID: mol466
SMILES: O=C(O)COc1ccc(Cl)cc1
InChI: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | IUPAC digitized pKa | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 3.00 | IUPAC digitized pKa | 0 » -1 |
| 3.00 | IUPAC digitized pKa | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.01 | IUPAC digitized pKa | 0 » -1 |
| 3.01 | QSARToolbox | 0 » -1 |
| 3.04 | OCHEM | 0 » -1 |
| 3.04 | AttenGpKa training set | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.18 | OCHEM | 0 » -1 |
| 3.18 | Hunt | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.56 | QSARToolbox | 0 » -1 |