Molecule ID: mol37491
SMILES: O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOCCOC3)c([N+](=O)[O-])c1
InChI: InChI=1S/C22H26N4O10/c27-22-16-11-18(23-24-20-2-1-19(25(28)29)13-21(20)26(30)31)12-17(22)15-36-10-8-34-6-4-32-3-5-33-7-9-35-14-16/h1-2,11-13,27H,3-10,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | QSARToolbox | 0 » -1 |