Molecule ID: mol2381
SMILES: CCC(N)(CC)CC
InChI: InChI=1S/C7H17N/c1-4-7(8,5-2)6-3/h4-6,8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.59 | IUPAC digitized pKa | 1 » 0 |
| 10.59 | OCHEM | 1 » 0 |
| 10.59 | Hunt | 1 » 0 |
| 10.59 | OCHEM | 1 » 0 |
| 10.74 | IUPAC digitized pKa | 1 » 0 |
| 10.74 | AttenGpKa training set | 1 » 0 |
| 10.87 | Datawarrior | 1 » 0 |
| 10.87 | OCHEM | 1 » 0 |
| 10.97 | IUPAC digitized pKa | 1 » 0 |