Molecule ID: mol11779
SMILES: Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C12H10N4O6S/c13-8-1-3-12(4-2-8)23(21,22)14-9-5-10(15(17)18)7-11(6-9)16(19)20/h1-7,14H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.19 | IUPAC digitized pKa | 0 » -1 |
| 6.19 | AttenGpKa training set | 0 » -1 |