Molecule ID: mol936
SMILES: CCCCCCNCCCCCC
InChI: InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.00 | OCHEM | 1 » 0 |
| 11.00 | OCHEM | 1 » 0 |
| 11.01 | Datawarrior | 1 » 0 |
| 11.01 | OCHEM | 1 » 0 |
| 11.01 | OCHEM | 1 » 0 |
| 11.01 | Hunt | 1 » 0 |
| 11.01 | OCHEM | 1 » 0 |
| 11.01 | AttenGpKa training set | 1 » 0 |
| 11.10 | QSARToolbox | 1 » 0 |