Molecule ID: mol11817
SMILES: Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C12H10ClN3O4S/c13-8-5-10(7-11(6-8)16(17)18)15-21(19,20)12-3-1-9(14)2-4-12/h1-7,15H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.92 | IUPAC digitized pKa | 0 » -1 |
| 6.92 | AttenGpKa training set | 0 » -1 |