Molecule ID: mol15902
SMILES: O=[N+]([O-])CCO
InChI: InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | OCHEM | 0 » -1 |
| 9.40 | Datawarrior | 0 » -1 |
| 9.40 | AttenGpKa training set | 0 » -1 |
| 9.40 | AttenGpKa training set | 0 » -1 |