Molecule ID: mol24631
SMILES: CCCN1CCN(c2ncccn2)CC1
InChI: InChI=1S/C11H18N4/c1-2-6-14-7-9-15(10-8-14)11-12-4-3-5-13-11/h3-5H,2,6-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | QSARToolbox | 1 » 0 |
| 7.91 | AttenGpKa training set | 1 » 0 |