Molecule ID: mol1254
SMILES: CN1C(C)(C)CCCC1(C)C
InChI: InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.57 | IUPAC digitized pKa | 1 » 0 |
| 10.63 | QSARToolbox | 1 » 0 |
| 11.19 | QSARToolbox | 1 » 0 |
| 11.19 | IUPAC digitized pKa | 1 » 0 |
| 11.19 | OCHEM | 1 » 0 |
| 11.19 | Hunt | 1 » 0 |
| 11.19 | OCHEM | 1 » 0 |
| 11.25 | Datawarrior | 1 » 0 |
| 11.25 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.25 | OCHEM | 1 » 0 |
| 11.25 | OCHEM | 1 » 0 |
| 11.25 | OCHEM | 1 » 0 |
| 11.25 | QSARToolbox | 1 » 0 |
| 11.25 | AttenGpKa training set | 1 » 0 |