Molecule ID: mol3564
SMILES: NCCN1CCCCC1
InChI: InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.17 | IUPAC digitized pKa | 2 » 1 |
| 6.38 | IUPAC digitized pKa | 2 » 1 |
| 6.38 | QSARToolbox | 2 » 1 |
| 9.46 | IUPAC digitized pKa | 1 » 0 |
| 9.46 | QSARToolbox | 1 » 0 |
| 9.68 | OCHEM | 1 » 0 |
| 9.89 | IUPAC digitized pKa | 1 » 0 |
| 9.89 | QSARToolbox | 1 » 0 |