Molecule ID: mol5871
SMILES: NCCCNCCO
InChI: InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.95 | IUPAC digitized pKa | 2 » 1 |
| 8.00 | QSARToolbox | 2 » 1 |
| 8.19 | Datawarrior | 2 » 1 |
| 10.19 | IUPAC digitized pKa | 1 » 0 |
| 10.28 | Datawarrior | 1 » 0 |
| 10.28 | OCHEM | 1 » 0 |
| 10.30 | QSARToolbox | 1 » 0 |