Molecule ID: mol18486
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1
InChI: InChI=1S/C24H24ClN5O8/c1-3-4-5-20-27-23(25)19(12-21(31)38-2)28(20)13-14-6-8-15(9-7-14)26-24(33)17-10-16(29(34)35)11-18(22(17)32)30(36)37/h6-11,32H,3-5,12-13H2,1-2H3,(H,26,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Baltruschat ChEMBL | 0 » -1 |