Molecule ID: mol14516
SMILES: c1cc([C@@H]2CCCN2)nc([C@@H]2CCCN2)c1
InChI: InChI=1S/C13H19N3/c1-4-12(10-6-2-8-14-10)16-13(5-1)11-7-3-9-15-11/h1,4-5,10-11,14-15H,2-3,6-9H2/t10-,11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.39 | Datawarrior | 1 » 0 |
| 9.39 | QSARToolbox | 1 » 0 |
| 10.14 | Datawarrior | 1 » 0 |