Molecule ID: mol3073
SMILES: N#CCC(=O)NN
InChI: InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 2.34 | OCHEM | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | IUPAC digitized pKa | 1 » 0 |
| 2.34 | Datawarrior | 1 » 0 |
| 2.41 | AttenGpKa training set | 1 » 0 |
| 2.47 | IUPAC digitized pKa | 1 » 0 |
| 11.04 | IUPAC digitized pKa | 0 » -1 |
| 11.08 | Datawarrior | 0 » -1 |
| 11.08 | OCHEM | 0 » -1 |
| 11.10 | AttenGpKa training set | 0 » -1 |
| 11.15 | IUPAC digitized pKa | 0 » -1 |
| 11.15 | IUPAC digitized pKa | 0 » -1 |
| 11.17 | IUPAC digitized pKa | 0 » -1 |
| 11.17 | QSARToolbox | 0 » -1 |