Molecule ID: mol12700
SMILES: O=C(C[N+](=O)[O-])c1ccccc1
InChI: InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.97 | AttenGpKa training set | 0 » -1 |
| 5.19 | Datawarrior | 0 » -1 |
| 5.19 | QSARToolbox | 0 » -1 |
| 5.19 | QSARToolbox | 0 » -1 |
| 5.19 | OCHEM | 0 » -1 |