Molecule ID: mol18488
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C24H25ClN4O5/c1-3-4-5-21-27-23(25)20(14-22(30)34-2)28(21)15-16-6-10-18(11-7-16)26-24(31)17-8-12-19(13-9-17)29(32)33/h6-13H,3-5,14-15H2,1-2H3,(H,26,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 1 » 0 |