Molecule ID: mol177
SMILES: C1CCNC1
InChI: InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.56 | IUPAC digitized pKa | 1 » 0 |
| 10.70 | IUPAC digitized pKa | 1 » 0 |
| 10.85 | IUPAC digitized pKa | 1 » 0 |
| 10.96 | IUPAC digitized pKa | 1 » 0 |
| 10.99 | IUPAC digitized pKa | 1 » 0 |
| 11.02 | OCHEM | 1 » 0 |
| 11.08 | IUPAC digitized pKa | 1 » 0 |
| 11.15 | IUPAC digitized pKa | 1 » 0 |
| 11.27 | IUPAC digitized pKa | 1 » 0 |
| 11.27 | Baltruschat ChEMBL | 1 » 0 |
| 11.27 | AttenGpKa training set | 1 » 0 |
| 11.30 | Datawarrior | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | Hunt | 1 » 0 |
| 11.30 | OCHEM | 1 » 0 |
| 11.30 | Settimo | 1 » 0 |
| 11.31 | IUPAC digitized pKa | 1 » 0 |
| 11.31 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.31 | OCHEM | 1 » 0 |
| 11.31 | OCHEM | 1 » 0 |
| 11.47 | IUPAC digitized pKa | 1 » 0 |
| 11.64 | IUPAC digitized pKa | 1 » 0 |
| 11.81 | IUPAC digitized pKa | 1 » 0 |
| 11.98 | IUPAC digitized pKa | 1 » 0 |
| 12.17 | IUPAC digitized pKa | 1 » 0 |