Molecule ID: mol35983
SMILES: O=C(O)C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)NC(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C18H11N7O8/c26-16-14(22-20-9-1-5-11(6-2-9)24(30)31)13(18(28)29)15(17(27)19-16)23-21-10-3-7-12(8-4-10)25(32)33/h1-8,20H,(H,28,29)(H,19,26,27)/b22-14-,23-21?
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.04 | QSARToolbox | -2 » -3 |