Molecule ID: mol3091
SMILES: NCCNCc1ccccc1
InChI: InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.48 | IUPAC digitized pKa | 2 » 1 |
| 6.48 | Datawarrior | 2 » 1 |
| 6.48 | QSARToolbox | 2 » 1 |
| 6.48 | QSARToolbox | 2 » 1 |
| 6.50 | OCHEM | 2 » 1 |
| 6.70 | QSARToolbox | 2 » 1 |
| 6.70 | IUPAC digitized pKa | 2 » 1 |
| 9.41 | OCHEM | 1 » 0 |
| 9.41 | QSARToolbox | 1 » 0 |
| 9.41 | IUPAC digitized pKa | 1 » 0 |
| 9.41 | Datawarrior | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.80 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |