Molecule ID: mol2070
SMILES: Cc1cccc(C)c1N
InChI: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | OCHEM | 1 » 0 |
| 3.84 | Datawarrior | 1 » 0 |
| 3.89 | IUPAC digitized pKa | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 3.94 | IUPAC digitized pKa | 1 » 0 |
| 3.95 | IUPAC digitized pKa | 1 » 0 |
| 3.95 | IUPAC digitized pKa | 1 » 0 |
| 3.95 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.95 | OCHEM | 1 » 0 |
| 3.95 | OCHEM | 1 » 0 |
| 3.95 | Hunt | 1 » 0 |
| 3.95 | OCHEM | 1 » 0 |
| 4.04 | AttenGpKa training set | 1 » 0 |
| 4.25 | IUPAC digitized pKa | 1 » 0 |