Molecule ID: mol18590
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc([N+](=O)[O-])cc23)cc1
InChI: InChI=1S/C20H16N4O4S/c1-29(27,28)23-14-8-6-13(7-9-14)21-20-16-4-2-3-5-18(16)22-19-11-10-15(24(25)26)12-17(19)20/h2-12,23H,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | OCHEM | 1 » 0 |
| 5.42 | Baltruschat ChEMBL | 1 » 0 |
| 5.42 | Baltruschat ChEMBL | 1 » 0 |
| 5.42 | Baltruschat ChEMBL | 1 » 0 |