Molecule ID: mol10717
SMILES: CCN(CC)CC(=NO)C(C)=NO
InChI: InChI=1S/C8H17N3O2/c1-4-11(5-2)6-8(10-13)7(3)9-12/h12-13H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Datawarrior | 0 » -1 |
| 8.50 | OCHEM | 0 » -1 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | QSARToolbox | -1 » -2 |
| 10.70 | Datawarrior | -1 » -2 |
| 10.75 | IUPAC digitized pKa | -1 » -2 |
| 11.90 | QSARToolbox | -1 » -2 |
| 11.90 | Datawarrior | -1 » -2 |
| 11.90 | Datawarrior | -1 » -2 |
| 11.90 | OCHEM | -1 » -2 |