Molecule ID: mol35332
SMILES: Cc1cc(C(c2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C22H16N6O12/c1-10-4-13(19(26(35)36)7-16(10)23(29)30)22(14-5-11(2)17(24(31)32)8-20(14)27(37)38)15-6-12(3)18(25(33)34)9-21(15)28(39)40/h4-9,22H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.33 | QSARToolbox | 0 » -1 |