Molecule ID: mol28741
SMILES: Nc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1
InChI: InChI=1S/C11H10BrN3O2S/c12-8-5-6-14-11(7-8)15-18(16,17)10-3-1-9(13)2-4-10/h1-7H,13H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | AttenGpKa training set | 2 » 1 |
| 7.15 | AttenGpKa training set | 0 » -1 |