Molecule ID: mol11838
SMILES: O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O
InChI: InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.90 | QSARToolbox | -1 » -2 |
| 10.91 | IUPAC digitized pKa | -1 » -2 |
| 10.91 | OCHEM | -1 » -2 |
| 11.17 | QSARToolbox | -1 » -2 |