Molecule ID: mol15094
SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1
InChI: InChI=1S/C13H8N2O7/c16-10-4-1-8(2-5-10)13(17)22-12-6-3-9(14(18)19)7-11(12)15(20)21/h1-7,16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.37 | QSARToolbox | 0 » -1 |
| 7.68 | OCHEM | 0 » -1 |
| 7.68 | QSARToolbox | 0 » -1 |
| 7.68 | Datawarrior | 0 » -1 |