Molecule ID: mol13041
SMILES: CCn1cccc(O)c1=O
InChI: InChI=1S/C7H9NO2/c1-2-8-5-3-4-6(9)7(8)10/h3-5,9H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.99 | QSARToolbox | 0 » -1 |
| 8.99 | OCHEM | 0 » -1 |
| 8.99 | Datawarrior | 0 » -1 |
| 8.99 | OCHEM | 0 » -1 |
| 8.99 | Baltruschat ChEMBL | 0 » -1 |
| 8.99 | AttenGpKa training set | 0 » -1 |