Molecule ID: mol5863
SMILES: CN(CCCN)CCCN
InChI: InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.32 | IUPAC digitized pKa | 3 » 2 |
| 6.44 | AttenGpKa training set | 3 » 2 |
| 6.45 | Datawarrior | 3 » 2 |
| 6.47 | IUPAC digitized pKa | 3 » 2 |
| 6.50 | OCHEM | 3 » 2 |
| 6.55 | IUPAC digitized pKa | 3 » 2 |
| 7.19 | IUPAC digitized pKa | 3 » 2 |
| 9.05 | IUPAC digitized pKa | 3 » 2 |
| 9.19 | IUPAC digitized pKa | 3 » 2 |
| 9.27 | Datawarrior | 3 » 2 |
| 9.37 | AttenGpKa training set | 3 » 2 |
| 9.55 | IUPAC digitized pKa | 2 » 1 |
| 9.80 | OCHEM | 2 » 1 |
| 9.80 | OCHEM | 2 » 1 |
| 9.91 | IUPAC digitized pKa | 2 » 1 |
| 10.07 | IUPAC digitized pKa | 2 » 1 |
| 10.33 | IUPAC digitized pKa | 1 » 0 |
| 10.39 | Datawarrior | 1 » 0 |
| 10.39 | OCHEM | 1 » 0 |
| 10.54 | AttenGpKa training set | 1 » 0 |
| 10.74 | IUPAC digitized pKa | 1 » 0 |
| 10.84 | IUPAC digitized pKa | 1 » 0 |