Molecule ID: mol2098
SMILES: CCNCc1ccccc1
InChI: InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.64 | IUPAC digitized pKa | 1 » 0 |
| 9.64 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.64 | Hunt | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.68 | AttenGpKa training set | 1 » 0 |
| 9.75 | Datawarrior | 1 » 0 |
| 9.75 | OCHEM | 1 » 0 |