Molecule ID: mol889
SMILES: CC(C)(CN)CN
InChI: InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | IUPAC digitized pKa | 2 » 1 |
| 7.99 | Datawarrior | 2 » 1 |
| 8.18 | IUPAC digitized pKa | 2 » 1 |
| 8.18 | OCHEM | 2 » 1 |
| 8.18 | Hunt | 2 » 1 |
| 8.18 | AttenGpKa training set | 2 » 1 |
| 8.50 | OCHEM | 2 » 1 |
| 9.07 | IUPAC digitized pKa | 2 » 1 |
| 9.65 | IUPAC digitized pKa | 2 » 1 |
| 9.90 | OCHEM | 2 » 1 |
| 10.19 | Datawarrior | 2 » 1 |
| 10.19 | OCHEM | 2 » 1 |
| 10.22 | IUPAC digitized pKa | 2 » 1 |
| 10.22 | OCHEM | 2 » 1 |
| 10.22 | Hunt | 2 » 1 |
| 10.22 | AttenGpKa training set | 2 » 1 |
| 11.22 | IUPAC digitized pKa | 1 » 0 |