Molecule ID: mol6414
SMILES: CC(C)(C)c1cccc(C(C)(C)C)n1
InChI: InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.95 | OCHEM | 1 » 0 |
| 4.95 | QSARToolbox | 1 » 0 |
| 4.95 | Datawarrior | 1 » 0 |
| 5.01 | AttenGpKa training set | 1 » 0 |
| 5.02 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |