Molecule ID: mol122
SMILES: NCCCCc1ccccc1
InChI: InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.36 | IUPAC digitized pKa | 1 » 0 |
| 10.36 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.36 | OCHEM | 1 » 0 |
| 10.36 | OCHEM | 1 » 0 |
| 10.36 | OCHEM | 1 » 0 |
| 10.39 | Datawarrior | 1 » 0 |
| 10.39 | OCHEM | 1 » 0 |
| 10.40 | AttenGpKa training set | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | Hunt | 1 » 0 |
| 10.50 | Settimo | 1 » 0 |