Molecule ID: mol10043
SMILES: O=C(O)c1cc(Cl)cc(Cl)c1O
InChI: InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | IUPAC digitized pKa | 0 » -1 |
| 2.14 | IUPAC digitized pKa | 0 » -1 |
| 2.17 | IUPAC digitized pKa | 0 » -1 |
| 2.20 | IUPAC digitized pKa | 0 » -1 |
| 2.20 | OCHEM | 0 » -1 |
| 2.24 | QSARToolbox | 0 » -1 |
| 2.28 | AttenGpKa training set | 0 » -1 |
| 2.30 | OCHEM | 0 » -1 |
| 2.30 | Baltruschat ChEMBL | 0 » -1 |
| 2.40 | QSARToolbox | 0 » -1 |
| 2.40 | QSARToolbox | 0 » -1 |
| 5.50 | OCHEM | 0 » -1 |
| 5.50 | Baltruschat ChEMBL | 0 » -1 |
| 10.10 | QSARToolbox | -1 » -2 |
| 10.91 | AttenGpKa training set | -1 » -2 |
| 11.20 | QSARToolbox | -1 » -2 |
| 11.60 | QSARToolbox | -1 » -2 |