Molecule ID: mol15344
SMILES: Nc1ccc(S(=O)(=O)Nc2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChI: InChI=1S/C15H13N5O4S/c16-11-1-7-14(8-2-11)25(23,24)18-15-9-10-19(17-15)12-3-5-13(6-4-12)20(21)22/h1-10H,16H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.94 | Datawarrior | 0 » -1 |
| 6.94 | QSARToolbox | 0 » -1 |
| 6.94 | OCHEM | 0 » -1 |