Molecule ID: mol8493
SMILES: NOCC(=O)O
InChI: InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | IUPAC digitized pKa | 1 » 0 |
| 2.87 | AttenGpKa training set | 1 » 0 |
| 3.63 | QSARToolbox | 0 » -1 |
| 4.15 | IUPAC digitized pKa | 0 » -1 |
| 4.67 | IUPAC digitized pKa | 0 » -1 |
| 4.67 | AttenGpKa training set | 0 » -1 |