Molecule ID: mol8507
SMILES: N[C@@H]1CONC1=O
InChI: InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.44 | IUPAC digitized pKa | 1 » 0 |
| 4.46 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.53 | AttenGpKa training set | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 0 » -1 |
| 7.29 | IUPAC digitized pKa | 0 » -1 |
| 7.31 | AttenGpKa training set | 0 » -1 |
| 7.43 | IUPAC digitized pKa | 0 » -1 |
| 7.74 | IUPAC digitized pKa | 0 » -1 |