Molecule ID: mol2134
SMILES: COc1ccccc1CCC(=O)O
InChI: InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | AttenGpKa training set | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | Hunt | 0 » -1 |