Molecule ID: mol1073
SMILES: CNc1ccccc1
InChI: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | IUPAC digitized pKa | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | Datawarrior | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.84 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | AttenGpKa training set | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |
| 4.85 | IUPAC digitized pKa | 1 » 0 |
| 4.85 | OCHEM | 1 » 0 |
| 4.85 | Hunt | 1 » 0 |
| 4.85 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.86 | IUPAC digitized pKa | 1 » 0 |