Molecule ID: mol1673
SMILES: COc1ccc(OC)c(N)c1
InChI: InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | QSARToolbox | 1 » 0 |
| 3.72 | Datawarrior | 1 » 0 |
| 3.72 | OCHEM | 1 » 0 |
| 3.73 | AttenGpKa training set | 1 » 0 |
| 3.93 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.93 | OCHEM | 1 » 0 |
| 3.93 | OCHEM | 1 » 0 |
| 3.93 | Hunt | 1 » 0 |
| 3.93 | OCHEM | 1 » 0 |
| 3.93 | OCHEM | 1 » 0 |