Molecule ID: mol925
SMILES: CCC(C)(N)CC
InChI: InChI=1S/C6H15N/c1-4-6(3,7)5-2/h4-5,7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.63 | IUPAC digitized pKa | 1 » 0 |
| 10.63 | OCHEM | 1 » 0 |
| 10.63 | Hunt | 1 » 0 |
| 10.63 | OCHEM | 1 » 0 |
| 10.78 | IUPAC digitized pKa | 1 » 0 |
| 10.78 | AttenGpKa training set | 1 » 0 |
| 10.91 | Datawarrior | 1 » 0 |
| 10.91 | OCHEM | 1 » 0 |
| 11.01 | IUPAC digitized pKa | 1 » 0 |