Molecule ID: mol5789
SMILES: CN=C(N(C)C)N(C)C
InChI: InChI=1S/C6H15N3/c1-7-6(8(2)3)9(4)5/h1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.80 | IUPAC digitized pKa | 1 » 0 |
| 13.80 | Datawarrior | 1 » 0 |
| 13.80 | OCHEM | 1 » 0 |
| 13.80 | OCHEM | 1 » 0 |
| 13.80 | OCHEM | 1 » 0 |
| 13.80 | AttenGpKa training set | 1 » 0 |
| 13.80 | QSARToolbox | 1 » 0 |