Molecule ID: mol434
SMILES: C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
InChI: InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | OCHEM | 0 » -1 |
| 2.84 | Hunt | 0 » -1 |
| 2.84 | OCHEM | 0 » -1 |
| 2.84 | OCHEM | 0 » -1 |
| 2.84 | OCHEM | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |