Molecule ID: mol3157
SMILES: NCCCCNCCCN
InChI: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | IUPAC digitized pKa | 3 » 2 |
| 8.15 | QSARToolbox | 3 » 2 |
| 8.25 | QSARToolbox | 3 » 2 |
| 8.30 | QSARToolbox | 3 » 2 |
| 8.35 | Datawarrior | 3 » 2 |
| 9.10 | IUPAC digitized pKa | 2 » 1 |
| 9.74 | QSARToolbox | 3 » 2 |
| 9.86 | Datawarrior | 2 » 1 |
| 10.10 | IUPAC digitized pKa | 1 » 0 |
| 10.24 | QSARToolbox | 2 » 1 |
| 10.59 | Datawarrior | 1 » 0 |
| 10.59 | OCHEM | 1 » 0 |