Molecule ID: mol21714
SMILES: O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)cc(Br)c1O
InChI: InChI=1S/C13H7Br2ClN2O4/c14-6-3-8(12(19)9(15)4-6)13(20)17-10-2-1-7(16)5-11(10)18(21)22/h1-5,19H,(H,17,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.11 | OCHEM | 0 » -1 |
| 4.11 | OCHEM | 0 » -1 |