Molecule ID: mol1828
SMILES: C[C@@H]1CCC[C@H](C)N1C
InChI: InChI=1S/C8H17N/c1-7-5-4-6-8(2)9(7)3/h7-8H,4-6H2,1-3H3/t7-,8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.15 | IUPAC digitized pKa | 1 » 0 |
| 10.15 | OCHEM | 1 » 0 |
| 10.15 | Hunt | 1 » 0 |
| 10.21 | Datawarrior | 1 » 0 |
| 10.21 | QSARToolbox | 1 » 0 |
| 10.37 | QSARToolbox | 1 » 0 |
| 10.49 | IUPAC digitized pKa | 1 » 0 |
| 10.57 | AttenGpKa training set | 1 » 0 |