Molecule ID: mol2117
SMILES: CC(C)(C#N)N1CCCCC1
InChI: InChI=1S/C9H16N2/c1-9(2,8-10)11-6-4-3-5-7-11/h3-7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.22 | IUPAC digitized pKa | 1 » 0 |
| 9.22 | OCHEM | 1 » 0 |
| 9.22 | Hunt | 1 » 0 |
| 9.22 | AttenGpKa training set | 1 » 0 |
| 9.22 | QSARToolbox | 1 » 0 |