Molecule ID: mol21013
SMILES: O=C(Nc1ccccc1Br)Nc1ccc(Cl)c(Cl)c1O
InChI: InChI=1S/C13H9BrCl2N2O2/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)11(16)12(10)19/h1-6,19H,(H2,17,18,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.24 | Baltruschat ChEMBL | 0 » -1 |