Molecule ID: mol2096
SMILES: CNCCc1ccccc1
InChI: InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.08 | IUPAC digitized pKa | 1 » 0 |
| 10.08 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |
| 10.08 | Hunt | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |
| 10.14 | AttenGpKa training set | 1 » 0 |
| 10.20 | OCHEM | 1 » 0 |
| 10.23 | Datawarrior | 1 » 0 |
| 10.23 | OCHEM | 1 » 0 |
| 10.31 | IUPAC digitized pKa | 1 » 0 |