Molecule ID: mol194
SMILES: C1CCCNCC1
InChI: InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.89 | Baltruschat ChEMBL | 1 » 0 |
| 10.89 | QSARToolbox | 1 » 0 |
| 10.93 | IUPAC digitized pKa | 1 » 0 |
| 10.99 | Datawarrior | 1 » 0 |
| 10.99 | OCHEM | 1 » 0 |
| 11.07 | IUPAC digitized pKa | 1 » 0 |
| 11.07 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | AttenGpKa training set | 1 » 0 |
| 11.10 | OCHEM | 1 » 0 |
| 11.10 | OCHEM | 1 » 0 |
| 11.10 | Hunt | 1 » 0 |
| 11.10 | Settimo | 1 » 0 |
| 11.10 | QSARToolbox | 1 » 0 |
| 11.70 | QSARToolbox | 1 » 0 |