Molecule ID: mol5810
SMILES: CNNC1CCN(C)CC1
InChI: InChI=1S/C7H17N3/c1-8-9-7-3-5-10(2)6-4-7/h7-9H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.95 | QSARToolbox | 2 » 1 |
| 5.95 | IUPAC digitized pKa | 2 » 1 |
| 5.95 | Datawarrior | 2 » 1 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | Datawarrior | 1 » 0 |