Molecule ID: mol3596
SMILES: CC1CCCC(C)(C)N1
InChI: InChI=1S/C8H17N/c1-7-5-4-6-8(2,3)9-7/h7,9H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.35 | IUPAC digitized pKa | 1 » 0 |
| 11.21 | IUPAC digitized pKa | 1 » 0 |
| 11.21 | OCHEM | 1 » 0 |
| 11.21 | QSARToolbox | 1 » 0 |
| 11.27 | Datawarrior | 1 » 0 |
| 11.27 | OCHEM | 1 » 0 |
| 11.27 | AttenGpKa training set | 1 » 0 |
| 11.27 | QSARToolbox | 1 » 0 |