Molecule ID: mol21704
SMILES: O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1O
InChI: InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |