Molecule ID: mol5805
SMILES: CC(C)NNC1CCN(C(C)C)CC1
InChI: InChI=1S/C11H25N3/c1-9(2)12-13-11-5-7-14(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | IUPAC digitized pKa | 2 » 1 |
| 6.30 | Datawarrior | 2 » 1 |
| 6.30 | QSARToolbox | 2 » 1 |
| 9.55 | IUPAC digitized pKa | 1 » 0 |
| 9.55 | Datawarrior | 1 » 0 |
| 9.55 | OCHEM | 1 » 0 |