Molecule ID: mol11818
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C12H10ClN3O4S/c13-11-6-3-9(7-12(11)16(17)18)15-21(19,20)10-4-1-8(14)2-5-10/h1-7,15H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.16 | IUPAC digitized pKa | 0 » -1 |
| 7.16 | AttenGpKa training set | 0 » -1 |