Molecule ID: mol1424
SMILES: Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
InChI: InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.60 | OCHEM | 0 » -1 |
| 7.60 | OCHEM | 0 » -1 |
| 7.60 | Hunt | 0 » -1 |
| 7.60 | OCHEM | 0 » -1 |
| 7.90 | OCHEM | 0 » -1 |
| 9.08 | AttenGpKa training set | -1 » -2 |
| 9.30 | Baltruschat ChEMBL | -1 » -2 |
| 11.50 | QSARToolbox | -1 » -2 |