Molecule ID: mol9821
SMILES: CC(=NO)C(CN(C)C)=NO
InChI: InChI=1S/C6H13N3O2/c1-5(7-10)6(8-11)4-9(2)3/h10-11H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.40 | Datawarrior | 0 » -1 |
| 10.45 | IUPAC digitized pKa | -1 » -2 |
| 10.60 | Datawarrior | -1 » -2 |
| 10.60 | OCHEM | -1 » -2 |
| 10.60 | QSARToolbox | -1 » -2 |
| 10.60 | QSARToolbox | -1 » -2 |
| 10.60 | QSARToolbox | -1 » -2 |
| 12.50 | Datawarrior | -1 » -2 |
| 12.50 | QSARToolbox | -1 » -2 |