Molecule ID: mol2333
SMILES: COC(=O)c1ccccc1O
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.79 | AttenGpKa training set | 0 » -1 |
| 9.80 | OCHEM | 0 » -1 |
| 9.80 | Hunt | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 10.03 | OCHEM | 0 » -1 |
| 10.19 | IUPAC digitized pKa | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.20 | Baltruschat ChEMBL | 0 » -1 |
| 10.30 | Datawarrior | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |