Molecule ID: mol35461
SMILES: Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O
InChI: InChI=1S/C14H12N2O8S/c1-8-5-11(6-9(2)14(8)17)25(22,23)24-13-4-3-10(15(18)19)7-12(13)16(20)21/h3-7,17H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.85 | QSARToolbox | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |