Molecule ID: mol36928
SMILES: O=[N+]([O-])c1cccc(OCc2cn3c(n2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c1
InChI: InChI=1S/C15H17N3O7/c19-6-11-12(20)13(21)14(22)15-16-8(5-17(11)15)7-25-10-3-1-2-9(4-10)18(23)24/h1-5,11-14,19-22H,6-7H2/t11-,12-,13+,14+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | QSARToolbox | 1 » 0 |