Molecule ID: mol2088
SMILES: NCCCc1ccccc1
InChI: InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.16 | IUPAC digitized pKa | 1 » 0 |
| 10.16 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.16 | OCHEM | 1 » 0 |
| 10.16 | Hunt | 1 » 0 |
| 10.16 | OCHEM | 1 » 0 |
| 10.16 | OCHEM | 1 » 0 |
| 10.20 | AttenGpKa training set | 1 » 0 |
| 10.27 | Datawarrior | 1 » 0 |
| 10.27 | OCHEM | 1 » 0 |
| 10.39 | OCHEM | 1 » 0 |
| 10.39 | OCHEM | 1 » 0 |