Molecule ID: mol860
SMILES: CCN(CC)CCN(CC)CC
InChI: InChI=1S/C10H24N2/c1-5-11(6-2)9-10-12(7-3)8-4/h5-10H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.13 | IUPAC digitized pKa | 2 » 1 |
| 6.18 | QSARToolbox | 2 » 1 |
| 6.18 | IUPAC digitized pKa | 2 » 1 |
| 6.18 | Datawarrior | 2 » 1 |
| 6.18 | OCHEM | 2 » 1 |
| 6.18 | Hunt | 2 » 1 |
| 6.65 | IUPAC digitized pKa | 2 » 1 |
| 6.65 | QSARToolbox | 2 » 1 |
| 6.76 | IUPAC digitized pKa | 2 » 1 |
| 6.76 | QSARToolbox | 2 » 1 |
| 6.90 | OCHEM | 2 » 1 |
| 9.30 | IUPAC digitized pKa | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | QSARToolbox | 1 » 0 |
| 9.52 | IUPAC digitized pKa | 1 » 0 |
| 9.52 | QSARToolbox | 1 » 0 |
| 9.55 | IUPAC digitized pKa | 1 » 0 |
| 9.55 | Datawarrior | 1 » 0 |
| 9.55 | OCHEM | 1 » 0 |
| 9.55 | Hunt | 1 » 0 |
| 9.55 | QSARToolbox | 1 » 0 |
| 9.55 | OCHEM | 1 » 0 |
| 9.67 | IUPAC digitized pKa | 1 » 0 |