Molecule ID: mol1028
SMILES: CN(C)c1ccccc1
InChI: InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | IUPAC digitized pKa | 1 » 0 |
| 5.05 | IUPAC digitized pKa | 1 » 0 |
| 5.07 | IUPAC digitized pKa | 1 » 0 |
| 5.07 | OCHEM | 1 » 0 |
| 5.07 | Hunt | 1 » 0 |
| 5.07 | IUPAC digitized pKa | 1 » 0 |
| 5.07 | AttenGpKa training set | 1 » 0 |
| 5.10 | OCHEM | 1 » 0 |
| 5.10 | Datawarrior | 1 » 0 |
| 5.12 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 5.18 | IUPAC digitized pKa | 1 » 0 |