Molecule ID: mol3245
SMILES: NCCCCCCN
InChI: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.77 | IUPAC digitized pKa | 1 » 0 |
| 8.77 | QSARToolbox | 1 » 0 |
| 9.05 | IUPAC digitized pKa | 1 » 0 |
| 9.35 | IUPAC digitized pKa | 1 » 0 |
| 9.67 | IUPAC digitized pKa | 1 » 0 |
| 9.83 | IUPAC digitized pKa | 1 » 0 |
| 9.83 | AttenGpKa training set | 1 » 0 |
| 9.85 | IUPAC digitized pKa | 1 » 0 |
| 9.85 | QSARToolbox | 1 » 0 |
| 9.88 | QSARToolbox | 1 » 0 |
| 10.01 | IUPAC digitized pKa | 1 » 0 |
| 10.10 | OCHEM | 1 » 0 |
| 10.14 | IUPAC digitized pKa | 1 » 0 |
| 10.16 | Datawarrior | 1 » 0 |
| 10.24 | IUPAC digitized pKa | 1 » 0 |
| 10.33 | QSARToolbox | 1 » 0 |
| 10.38 | IUPAC digitized pKa | 1 » 0 |
| 10.44 | IUPAC digitized pKa | 1 » 0 |
| 10.57 | OCHEM | 1 » 0 |
| 10.63 | OCHEM | 1 » 0 |
| 10.76 | IUPAC digitized pKa | 1 » 0 |
| 10.76 | IUPAC digitized pKa | 1 » 0 |
| 10.93 | IUPAC digitized pKa | 1 » 0 |
| 10.93 | AttenGpKa training set | 1 » 0 |
| 10.97 | Datawarrior | 1 » 0 |
| 11.02 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.02 | IUPAC digitized pKa | 1 » 0 |
| 11.11 | IUPAC digitized pKa | 1 » 0 |
| 11.47 | IUPAC digitized pKa | 1 » 0 |
| 11.86 | IUPAC digitized pKa | 1 » 0 |