Molecule ID: mol3248
SMILES: CCCCCC(C)N
InChI: InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.48 | IUPAC digitized pKa | 1 » 0 |
| 10.48 | AttenGpKa training set | 1 » 0 |
| 10.58 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.67 | IUPAC digitized pKa | 1 » 0 |
| 10.74 | OCHEM | 1 » 0 |
| 10.80 | IUPAC digitized pKa | 1 » 0 |
| 10.80 | Datawarrior | 1 » 0 |
| 10.98 | OCHEM | 1 » 0 |
| 11.15 | Datawarrior | 1 » 0 |