Molecule ID: mol1032
SMILES: Cc1ccc(N)cc1C
InChI: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.94 | Datawarrior | 1 » 0 |
| 4.94 | OCHEM | 1 » 0 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | Hunt | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.28 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.33 | QSARToolbox | 1 » 0 |