Molecule ID: mol3124
SMILES: CNCCNC
InChI: InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | IUPAC digitized pKa | 2 » 1 |
| 7.01 | IUPAC digitized pKa | 2 » 1 |
| 7.29 | Datawarrior | 2 » 1 |
| 7.40 | IUPAC digitized pKa | 2 » 1 |
| 7.47 | IUPAC digitized pKa | 2 » 1 |
| 7.47 | AttenGpKa training set | 2 » 1 |
| 7.70 | OCHEM | 2 » 1 |
| 8.30 | IUPAC digitized pKa | 2 » 1 |
| 9.88 | IUPAC digitized pKa | 1 » 0 |
| 9.90 | OCHEM | 1 » 0 |
| 10.03 | IUPAC digitized pKa | 1 » 0 |
| 10.11 | Datawarrior | 1 » 0 |
| 10.11 | OCHEM | 1 » 0 |
| 10.16 | IUPAC digitized pKa | 1 » 0 |
| 10.16 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.29 | IUPAC digitized pKa | 1 » 0 |
| 10.29 | AttenGpKa training set | 1 » 0 |
| 10.89 | IUPAC digitized pKa | 1 » 0 |