Molecule ID: mol21344
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cccc([N+](=O)[O-])c23)cc1
InChI: InChI=1S/C20H16N4O4S/c1-29(27,28)23-14-11-9-13(10-12-14)21-20-15-5-2-3-6-16(15)22-17-7-4-8-18(19(17)20)24(25)26/h2-12,23H,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | OCHEM | 1 » 0 |
| 4.79 | Baltruschat ChEMBL | 1 » 0 |
| 4.79 | Baltruschat ChEMBL | 1 » 0 |