Molecule ID: mol12566
SMILES: NCCNCCc1ccccc1
InChI: InChI=1S/C10H16N2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.59 | Datawarrior | 2 » 1 |
| 6.59 | QSARToolbox | 2 » 1 |
| 6.59 | QSARToolbox | 2 » 1 |
| 6.90 | OCHEM | 2 » 1 |
| 9.14 | OCHEM | 1 » 0 |
| 9.44 | QSARToolbox | 1 » 0 |
| 9.44 | OCHEM | 1 » 0 |
| 9.44 | Datawarrior | 1 » 0 |