Molecule ID: mol3673
SMILES: Cn1ccc(=O)cc1
InChI: InChI=1S/C6H7NO/c1-7-4-2-6(8)3-5-7/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | QSARToolbox | 1 » 0 |
| 3.29 | IUPAC digitized pKa | 1 » 0 |
| 3.29 | OCHEM | 1 » 0 |
| 3.33 | OCHEM | 1 » 0 |
| 3.33 | QSARToolbox | 1 » 0 |
| 3.33 | Datawarrior | 1 » 0 |