Molecule ID: mol973
SMILES: CC(=O)c1cccc(N)c1
InChI: InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |
| 3.56 | Hunt | 1 » 0 |
| 3.56 | AttenGpKa training set | 1 » 0 |
| 3.59 | QSARToolbox | 1 » 0 |
| 3.59 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | IUPAC digitized pKa | 1 » 0 |
| 3.61 | OCHEM | 1 » 0 |
| 3.61 | Datawarrior | 1 » 0 |
| 3.64 | QSARToolbox | 1 » 0 |