Molecule ID: mol21700
SMILES: O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O
InChI: InChI=1S/C13H8Cl3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |