Molecule ID: mol2051
SMILES: CCCOc1ccccc1C(=O)O
InChI: InChI=1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | Datawarrior | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | Hunt | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | AttenGpKa training set | 0 » -1 |