Molecule ID: mol5909
SMILES: CCCCNCCC(N)=NO
InChI: InChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | IUPAC digitized pKa | 2 » 1 |
| 3.75 | Datawarrior | 2 » 1 |
| 3.75 | QSARToolbox | 2 » 1 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |