Molecule ID: mol2380
SMILES: CC(C)C(N)C(C)C
InChI: InChI=1S/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.23 | IUPAC digitized pKa | 1 » 0 |
| 10.23 | OCHEM | 1 » 0 |
| 10.23 | Hunt | 1 » 0 |
| 10.40 | IUPAC digitized pKa | 1 » 0 |
| 10.40 | Datawarrior | 1 » 0 |
| 10.40 | OCHEM | 1 » 0 |
| 10.40 | AttenGpKa training set | 1 » 0 |