Molecule ID: mol21360
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1[N+](=O)[O-]
InChI: InChI=1S/C20H16N4O4S/c1-29(27,28)23-18-11-10-13(12-19(18)24(25)26)21-20-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)20/h2-12,23H,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | Baltruschat ChEMBL | 1 » 0 |