Molecule ID: mol1075
SMILES: Cc1ccc(N)cc1
InChI: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.63 | IUPAC digitized pKa | 1 » 0 |
| 4.72 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.83 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 4.99 | IUPAC digitized pKa | 1 » 0 |
| 4.99 | IUPAC digitized pKa | 1 » 0 |
| 5.02 | IUPAC digitized pKa | 1 » 0 |
| 5.03 | IUPAC digitized pKa | 1 » 0 |
| 5.04 | Datawarrior | 1 » 0 |
| 5.07 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | OCHEM | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.09 | OCHEM | 1 » 0 |
| 5.10 | IUPAC digitized pKa | 1 » 0 |
| 5.10 | IUPAC digitized pKa | 1 » 0 |
| 5.10 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.10 | Hunt | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.12 | AttenGpKa training set | 1 » 0 |
| 5.15 | IUPAC digitized pKa | 1 » 0 |
| 5.16 | IUPAC digitized pKa | 1 » 0 |
| 5.16 | IUPAC digitized pKa | 1 » 0 |
| 5.19 | IUPAC digitized pKa | 1 » 0 |
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.29 | IUPAC digitized pKa | 1 » 0 |
| 5.40 | IUPAC digitized pKa | 1 » 0 |