Molecule ID: mol228
SMILES: CC1(C)CCCC(C)(C)N1
InChI: InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.45 | IUPAC digitized pKa | 1 » 0 |
| 10.47 | QSARToolbox | 1 » 0 |
| 10.48 | IUPAC digitized pKa | 1 » 0 |
| 11.07 | IUPAC digitized pKa | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | AttenGpKa training set | 1 » 0 |
| 11.10 | OCHEM | 1 » 0 |
| 11.10 | OCHEM | 1 » 0 |
| 11.10 | Hunt | 1 » 0 |
| 11.10 | Settimo | 1 » 0 |
| 11.10 | QSARToolbox | 1 » 0 |
| 11.17 | Datawarrior | 1 » 0 |
| 11.17 | OCHEM | 1 » 0 |
| 11.18 | IUPAC digitized pKa | 1 » 0 |
| 11.24 | QSARToolbox | 1 » 0 |
| 11.70 | QSARToolbox | 1 » 0 |
| 11.72 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |