Molecule ID: mol2000
SMILES: CCCCNC
InChI: InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.80 | Datawarrior | 1 » 0 |
| 10.80 | OCHEM | 1 » 0 |
| 10.80 | QSARToolbox | 1 » 0 |
| 10.90 | IUPAC digitized pKa | 1 » 0 |
| 10.90 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | Hunt | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | AttenGpKa training set | 1 » 0 |