Molecule ID: mol3109
SMILES: CCCNCCN
InChI: InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.54 | IUPAC digitized pKa | 2 » 1 |
| 7.54 | Datawarrior | 2 » 1 |
| 7.54 | OCHEM | 2 » 1 |
| 7.54 | AttenGpKa training set | 2 » 1 |
| 8.24 | IUPAC digitized pKa | 2 » 1 |
| 10.32 | AttenGpKa training set | 1 » 0 |
| 10.34 | IUPAC digitized pKa | 1 » 0 |
| 10.34 | Datawarrior | 1 » 0 |
| 10.34 | OCHEM | 1 » 0 |
| 10.34 | OCHEM | 1 » 0 |
| 11.04 | IUPAC digitized pKa | 1 » 0 |