Molecule ID: mol3282
SMILES: CC1CCC(O)C(N)C1
InChI: InChI=1S/C7H15NO/c1-5-2-3-7(9)6(8)4-5/h5-7,9H,2-4,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.41 | OCHEM | 1 » 0 |
| 9.44 | QSARToolbox | 1 » 0 |
| 9.44 | IUPAC digitized pKa | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |