Molecule ID: mol2560
SMILES: COc1ccc(CCC(=O)O)cc1
InChI: InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | OCHEM | 0 » -1 |
| 4.69 | OCHEM | 0 » -1 |
| 4.69 | Hunt | 0 » -1 |
| 4.69 | OCHEM | 0 » -1 |
| 4.69 | AttenGpKa training set | 0 » -1 |
| 4.69 | QSARToolbox | 0 » -1 |
| 4.69 | QSARToolbox | 0 » -1 |
| 4.69 | QSARToolbox | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.71 | IUPAC digitized pKa | 0 » -1 |
| 4.71 | QSARToolbox | 0 » -1 |
| 4.72 | OCHEM | 0 » -1 |
| 4.72 | Datawarrior | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |