Molecule ID: mol36711
SMILES: O=C(O)c1ccc(S(=O)(=O)O)cc1N=NC(=NNc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O)c1ccccc1
InChI: InChI=1S/C20H15N5O11S2/c26-18-16(9-13(38(34,35)36)10-17(18)25(29)30)22-24-19(11-4-2-1-3-5-11)23-21-15-8-12(37(31,32)33)6-7-14(15)20(27)28/h1-10,22,26H,(H,27,28)(H,31,32,33)(H,34,35,36)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | -2 » -3 |