Molecule ID: mol9454
SMILES: CCC(CC)=NO
InChI: InChI=1S/C5H11NO/c1-3-5(4-2)6-7/h7H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.60 | IUPAC digitized pKa | 0 » -1 |
| 12.60 | OCHEM | 0 » -1 |
| 12.60 | AttenGpKa training set | 0 » -1 |
| 12.60 | QSARToolbox | 0 » -1 |
| 12.60 | QSARToolbox | 0 » -1 |