Molecule ID: mol2410
SMILES: Cc1ccccc1N
InChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.11 | IUPAC digitized pKa | 1 » 0 |
| 4.18 | IUPAC digitized pKa | 1 » 0 |
| 4.19 | IUPAC digitized pKa | 1 » 0 |
| 4.27 | IUPAC digitized pKa | 1 » 0 |
| 4.27 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.39 | IUPAC digitized pKa | 1 » 0 |
| 4.39 | IUPAC digitized pKa | 1 » 0 |
| 4.39 | OCHEM | 1 » 0 |
| 4.39 | Hunt | 1 » 0 |
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.42 | IUPAC digitized pKa | 1 » 0 |
| 4.44 | IUPAC digitized pKa | 1 » 0 |
| 4.44 | IUPAC digitized pKa | 1 » 0 |
| 4.44 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |
| 4.45 | IUPAC digitized pKa | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |
| 4.45 | IUPAC digitized pKa | 1 » 0 |
| 4.45 | Datawarrior | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |
| 4.48 | AttenGpKa training set | 1 » 0 |
| 4.52 | IUPAC digitized pKa | 1 » 0 |
| 4.54 | IUPAC digitized pKa | 1 » 0 |
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.73 | IUPAC digitized pKa | 1 » 0 |