Molecule ID: mol3595
SMILES: CC1CCNC(C)(C)C1
InChI: InChI=1S/C8H17N/c1-7-4-5-9-8(2,3)6-7/h7,9H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.26 | IUPAC digitized pKa | 1 » 0 |
| 11.04 | IUPAC digitized pKa | 1 » 0 |
| 11.04 | OCHEM | 1 » 0 |
| 11.10 | Datawarrior | 1 » 0 |
| 11.10 | OCHEM | 1 » 0 |
| 11.10 | AttenGpKa training set | 1 » 0 |
| 11.10 | QSARToolbox | 1 » 0 |
| 11.40 | QSARToolbox | 1 » 0 |