Molecule ID: mol37485
SMILES: O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOCCOCCOCCOC3)c([N+](=O)[O-])c1
InChI: InChI=1S/C26H34N4O12/c31-26-20-15-22(27-28-24-2-1-23(29(32)33)17-25(24)30(34)35)16-21(26)19-42-14-12-40-10-8-38-6-4-36-3-5-37-7-9-39-11-13-41-18-20/h1-2,15-17,31H,3-14,18-19H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | QSARToolbox | 0 » -1 |