Molecule ID: mol1031
SMILES: Cc1ccc(N)c(C)c1
InChI: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | Datawarrior | 1 » 0 |
| 4.75 | OCHEM | 1 » 0 |
| 4.84 | IUPAC digitized pKa | 1 » 0 |
| 4.89 | IUPAC digitized pKa | 1 » 0 |
| 4.89 | IUPAC digitized pKa | 1 » 0 |
| 4.89 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.89 | OCHEM | 1 » 0 |
| 4.89 | OCHEM | 1 » 0 |
| 4.89 | Hunt | 1 » 0 |
| 4.89 | OCHEM | 1 » 0 |
| 4.89 | OCHEM | 1 » 0 |
| 4.92 | AttenGpKa training set | 1 » 0 |