Molecule ID: mol14751
SMILES: Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)cc1
InChI: InChI=1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(15(18)19)8-12(13)14(16)17/h2-8H,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | OCHEM | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | Datawarrior | 0 » -1 |