Molecule ID: mol20466
SMILES: O=C1OC(C(O)CO)C(OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)=C1O
InChI: InChI=1S/C17H18N2O11S/c20-9-11(21)13-14(12(22)17(23)29-13)27-7-4-8-28-15-16(19(24)30-18-15)31(25,26)10-5-2-1-3-6-10/h1-3,5-6,11,13,20-22H,4,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.62 | Baltruschat ChEMBL | 0 » -1 |