Molecule ID: mol11099
SMILES: CC(=O)C(CN1CCCCC1)=NO
InChI: InChI=1S/C9H16N2O2/c1-8(12)9(10-13)7-11-5-3-2-4-6-11/h13H,2-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.96 | IUPAC digitized pKa | 1 » 0 |
| 7.05 | Datawarrior | 1 » 0 |
| 7.05 | OCHEM | 1 » 0 |
| 7.15 | IUPAC digitized pKa | 1 » 0 |
| 10.65 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | Datawarrior | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |