Molecule ID: mol2069
SMILES: Cc1cccc(N)c1C
InChI: InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.56 | OCHEM | 1 » 0 |
| 4.56 | Datawarrior | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | Hunt | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.71 | OCHEM | 1 » 0 |
| 4.72 | QSARToolbox | 1 » 0 |
| 4.72 | QSARToolbox | 1 » 0 |
| 4.72 | IUPAC digitized pKa | 1 » 0 |
| 4.72 | IUPAC digitized pKa | 1 » 0 |
| 4.75 | QSARToolbox | 1 » 0 |