Molecule ID: mol3638
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChI: InChI=1S/C11H10BrN3O2S/c12-8-1-6-11(14-7-8)15-18(16,17)10-4-2-9(13)3-5-10/h1-7H,13H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 6.98 | OCHEM | 0 » -1 |
| 7.15 | IUPAC digitized pKa | 0 » -1 |