Molecule ID: mol1001
SMILES: Cc1ccc(N)cc1Cl
InChI: InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | IUPAC digitized pKa | 1 » 0 |
| 4.05 | Datawarrior | 1 » 0 |
| 4.05 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 4.05 | Hunt | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |