Molecule ID: mol18607
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1
InChI: InChI=1S/C20H16N4O4S/c1-29(27,28)23-13-10-11-18(19(12-13)24(25)26)22-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-12,23H,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.86 | Baltruschat ChEMBL | 1 » 0 |