Molecule ID: mol2435
SMILES: C[C@@H]1CCC[C@H](C)N1
InChI: InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | IUPAC digitized pKa | 1 » 0 |
| 10.83 | IUPAC digitized pKa | 1 » 0 |
| 10.92 | IUPAC digitized pKa | 1 » 0 |
| 10.99 | Datawarrior | 1 » 0 |
| 10.99 | AttenGpKa training set | 1 » 0 |
| 11.07 | IUPAC digitized pKa | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | Hunt | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |