Molecule ID: mol3303
SMILES: CCN=C1C=C(NCC)CC(C)(C)C1
InChI: InChI=1S/C12H22N2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,13H,5-6,8-9H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.13 | IUPAC digitized pKa | 1 » 0 |
| 12.13 | Datawarrior | 1 » 0 |
| 12.13 | OCHEM | 1 » 0 |
| 12.13 | OCHEM | 1 » 0 |
| 12.13 | OCHEM | 1 » 0 |
| 12.13 | QSARToolbox | 1 » 0 |