Molecule ID: mol5777
SMILES: N=C(N)N=C(N)N
InChI: InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | IUPAC digitized pKa | 2 » 1 |
| 2.94 | IUPAC digitized pKa | 2 » 1 |
| 2.95 | IUPAC digitized pKa | 2 » 1 |
| 3.07 | IUPAC digitized pKa | 2 » 1 |
| 3.07 | AttenGpKa training set | 2 » 1 |
| 3.10 | IUPAC digitized pKa | 2 » 1 |
| 3.40 | OCHEM | 2 » 1 |
| 3.40 | OCHEM | 2 » 1 |
| 11.49 | IUPAC digitized pKa | 1 » 0 |
| 11.51 | IUPAC digitized pKa | 1 » 0 |
| 11.52 | IUPAC digitized pKa | 1 » 0 |
| 12.50 | OCHEM | 0 » -1 |
| 12.50 | OCHEM | 0 » -1 |
| 12.80 | IUPAC digitized pKa | 0 » -1 |
| 13.25 | IUPAC digitized pKa | 0 » -1 |
| 13.25 | AttenGpKa training set | 0 » -1 |