Molecule ID: mol1045
SMILES: O=C(O)c1c(Br)cccc1[N+](=O)[O-]
InChI: InChI=1S/C7H4BrNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | Datawarrior | 0 » -1 |
| 1.37 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.37 | OCHEM | 0 » -1 |
| 1.37 | OCHEM | 0 » -1 |
| 1.37 | Hunt | 0 » -1 |
| 1.37 | OCHEM | 0 » -1 |
| 1.37 | OCHEM | 0 » -1 |
| 1.37 | AttenGpKa training set | 0 » -1 |
| 1.37 | QSARToolbox | 0 » -1 |
| 1.37 | QSARToolbox | 0 » -1 |
| 1.37 | QSARToolbox | 0 » -1 |