Molecule ID: mol16398
SMILES: CC1=NN(c2ccc(OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)C(=O)C1
InChI: InChI=1S/C21H20N4O7S/c1-15-14-19(26)24(22-15)16-8-10-17(11-9-16)30-12-5-13-31-20-21(25(27)32-23-20)33(28,29)18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.12 | Baltruschat ChEMBL | 0 » -1 |