Molecule ID: mol13892
SMILES: CCN(CCO)c1ccc(N)cc1
InChI: InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.04 | QSARToolbox | 2 » 1 |
| 3.04 | Datawarrior | 2 » 1 |
| 7.12 | OCHEM | 1 » 0 |
| 7.12 | Datawarrior | 1 » 0 |