Molecule ID: mol1872
SMILES: CC(=O)c1cccc(O)c1
InChI: InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | QSARToolbox | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | Datawarrior | 0 » -1 |
| 9.16 | AttenGpKa training set | 0 » -1 |
| 9.18 | QSARToolbox | 0 » -1 |
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.25 | IUPAC digitized pKa | 0 » -1 |
| 9.25 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | Hunt | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |