Molecule ID: mol5389
SMILES: CCOC(=O)CNC(=O)CN
InChI: InChI=1S/C6H12N2O3/c1-2-11-6(10)4-8-5(9)3-7/h2-4,7H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | IUPAC digitized pKa | 1 » 0 |
| 7.71 | IUPAC digitized pKa | 1 » 0 |
| 7.75 | IUPAC digitized pKa | 1 » 0 |
| 7.76 | IUPAC digitized pKa | 1 » 0 |
| 7.76 | IUPAC digitized pKa | 1 » 0 |
| 7.92 | AttenGpKa training set | 1 » 0 |
| 7.92 | IUPAC digitized pKa | 1 » 0 |