Molecule ID: mol19407
SMILES: CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1
InChI: InChI=1S/C22H20N4O5S/c1-3-32(29,30)25-14-8-11-19(21(12-14)31-2)24-22-16-6-4-5-7-18(16)23-20-13-15(26(27)28)9-10-17(20)22/h4-13,25H,3H2,1-2H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | Baltruschat ChEMBL | 1 » 0 |