Molecule ID: mol22473
SMILES: CC(C)(Oc1ccc(Cl)cc1)C(=O)O
InChI: InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.95 | AttenGpKa training set | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |