Molecule ID: mol5811
SMILES: CN1CCC(NN)CC1
InChI: InChI=1S/C6H15N3/c1-9-4-2-6(8-7)3-5-9/h6,8H,2-5,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | QSARToolbox | 2 » 1 |
| 5.70 | IUPAC digitized pKa | 2 » 1 |
| 5.70 | Datawarrior | 2 » 1 |
| 8.85 | IUPAC digitized pKa | 1 » 0 |
| 8.85 | Datawarrior | 1 » 0 |
| 8.85 | OCHEM | 1 » 0 |