Molecule ID: mol1043
SMILES: CCOc1ccc(N)cc1
InChI: InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | QSARToolbox | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | Hunt | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.24 | IUPAC digitized pKa | 1 » 0 |
| 5.25 | Datawarrior | 1 » 0 |
| 5.25 | OCHEM | 1 » 0 |
| 5.25 | OCHEM | 1 » 0 |
| 5.25 | OCHEM | 1 » 0 |
| 5.25 | OCHEM | 1 » 0 |
| 5.25 | QSARToolbox | 1 » 0 |
| 5.25 | QSARToolbox | 1 » 0 |
| 5.25 | AttenGpKa training set | 1 » 0 |
| 5.31 | QSARToolbox | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |