Molecule ID: mol31883
SMILES: Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O
InChI: InChI=1S/C14H10N2O7/c1-8-6-9(2-4-12(8)17)14(18)23-13-5-3-10(15(19)20)7-11(13)16(21)22/h2-7,17H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.89 | QSARToolbox | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |