Molecule ID: mol37563
SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=C/c2ccc(O)cc2)cc1
InChI: InChI=1S/C20H13N3O7/c24-17-8-1-13(2-9-17)12-21-15-5-3-14(4-6-15)20(25)30-19-10-7-16(22(26)27)11-18(19)23(28)29/h1-12,24H/b21-12+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.16 | QSARToolbox | 0 » -1 |