Molecule ID: mol1425
SMILES: Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O
InChI: InChI=1S/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | QSARToolbox | 0 » -1 |
| 5.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.70 | Baltruschat ChEMBL | -1 » -2 |
| 10.65 | OCHEM | -1 » -2 |
| 10.65 | Hunt | -1 » -2 |