Molecule ID: mol19923
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C20H15N5O6S/c1-32(30,31)23-13-4-2-12(3-5-13)21-20-16-8-6-14(24(26)27)10-18(16)22-19-11-15(25(28)29)7-9-17(19)20/h2-11,23H,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.68 | OCHEM | 1 » 0 |
| 3.68 | Baltruschat ChEMBL | 1 » 0 |