Molecule ID: mol1870
SMILES: C=CCNc1ccccc1
InChI: InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | OCHEM | 1 » 0 |
| 3.56 | Hunt | 1 » 0 |
| 4.17 | IUPAC digitized pKa | 1 » 0 |
| 4.17 | Datawarrior | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |
| 4.18 | AttenGpKa training set | 1 » 0 |