Molecule ID: mol1937
SMILES: O=C(O)COc1nc(Cl)c(Cl)cc1Cl
InChI: InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.68 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.68 | OCHEM | 1 » 0 |
| 2.68 | OCHEM | 1 » 0 |
| 2.68 | OCHEM | 1 » 0 |
| 2.68 | OCHEM | 1 » 0 |
| 2.68 | QSARToolbox | 1 » 0 |
| 3.97 | Hunt | 0 » -1 |