Molecule ID: mol1074
SMILES: Cc1cccc(N)c1
InChI: InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.45 | IUPAC digitized pKa | 1 » 0 |
| 4.48 | IUPAC digitized pKa | 1 » 0 |
| 4.53 | IUPAC digitized pKa | 1 » 0 |
| 4.56 | IUPAC digitized pKa | 1 » 0 |
| 4.60 | IUPAC digitized pKa | 1 » 0 |
| 4.62 | IUPAC digitized pKa | 1 » 0 |
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.66 | IUPAC digitized pKa | 1 » 0 |
| 4.66 | IUPAC digitized pKa | 1 » 0 |
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 4.69 | IUPAC digitized pKa | 1 » 0 |
| 4.69 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.69 | OCHEM | 1 » 0 |
| 4.69 | Hunt | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | Datawarrior | 1 » 0 |
| 4.71 | OCHEM | 1 » 0 |
| 4.71 | OCHEM | 1 » 0 |
| 4.71 | IUPAC digitized pKa | 1 » 0 |
| 4.72 | IUPAC digitized pKa | 1 » 0 |
| 4.73 | IUPAC digitized pKa | 1 » 0 |
| 4.73 | IUPAC digitized pKa | 1 » 0 |
| 4.76 | AttenGpKa training set | 1 » 0 |
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |