Molecule ID: mol3234
SMILES: NCCCCCN
InChI: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.13 | IUPAC digitized pKa | 2 » 1 |
| 9.43 | OCHEM | 2 » 1 |
| 9.58 | AttenGpKa training set | 2 » 1 |
| 9.73 | Datawarrior | 2 » 1 |
| 9.95 | OCHEM | 2 » 1 |
| 10.02 | IUPAC digitized pKa | 2 » 1 |
| 10.05 | IUPAC digitized pKa | 2 » 1 |
| 10.05 | IUPAC digitized pKa | 2 » 1 |
| 10.25 | IUPAC digitized pKa | 2 » 1 |
| 10.29 | OCHEM | 2 » 1 |
| 10.85 | Datawarrior | 1 » 0 |
| 10.85 | AttenGpKa training set | 1 » 0 |
| 10.92 | IUPAC digitized pKa | 1 » 0 |
| 10.92 | OCHEM | 1 » 0 |
| 10.92 | OCHEM | 1 » 0 |
| 10.93 | IUPAC digitized pKa | 1 » 0 |
| 10.96 | IUPAC digitized pKa | 1 » 0 |