Molecule ID: mol16211
SMILES: CN(C)C(=N)N=C(N)N
InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.73 | QSARToolbox | 2 » 1 |
| 2.75 | OCHEM | 2 » 1 |
| 2.75 | OCHEM | 2 » 1 |
| 2.80 | AttenGpKa training set | 2 » 1 |
| 11.00 | OCHEM | 1 » 0 |
| 11.50 | Baltruschat ChEMBL | 1 » 0 |
| 11.50 | AttenGpKa training set | 1 » 0 |
| 11.52 | OCHEM | 1 » 0 |
| 11.52 | OCHEM | 1 » 0 |
| 11.53 | QSARToolbox | 1 » 0 |
| 12.40 | Baltruschat ChEMBL | 0 » -1 |