Molecule ID: mol3925
SMILES: N=C1NCC(=O)N1
InChI: InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | IUPAC digitized pKa | 1 » 0 |
| 4.76 | QSARToolbox | 1 » 0 |
| 4.80 | AttenGpKa training set | 1 » 0 |
| 4.80 | QSARToolbox | 1 » 0 |
| 6.82 | AttenGpKa training set | 1 » 0 |