Molecule ID: mol11163
SMILES: CC[N+](C)(CC)CC(=NO)C(C)=O
InChI: InChI=1S/C9H18N2O2/c1-5-11(4,6-2)7-9(10-13)8(3)12/h5-7H2,1-4H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.92 | QSARToolbox | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |
| 6.95 | AttenGpKa training set | 1 » 0 |