Molecule ID: mol15479
SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1
InChI: InChI=1S/C13H9NO4S/c15-13(16)11-8-9(14(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.22 | Datawarrior | 0 » -1 |
| 3.22 | OCHEM | 0 » -1 |
| 3.22 | OCHEM | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |