Molecule ID: mol2313
SMILES: COc1c(Cl)ccc(Cl)c1C(=O)O
InChI: InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.93 | AttenGpKa training set | 0 » -1 |
| 1.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.97 | OCHEM | 0 » -1 |
| 1.97 | OCHEM | 0 » -1 |
| 1.97 | Hunt | 0 » -1 |
| 1.97 | OCHEM | 0 » -1 |
| 1.97 | OCHEM | 0 » -1 |
| 1.97 | OCHEM | 0 » -1 |