Molecule ID: mol19408
SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1
InChI: InChI=1S/C23H22N4O5S/c1-3-12-33(30,31)26-15-8-11-20(22(13-15)32-2)25-23-17-6-4-5-7-19(17)24-21-14-16(27(28)29)9-10-18(21)23/h4-11,13-14,26H,3,12H2,1-2H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | Baltruschat ChEMBL | 1 » 0 |