Molecule ID: mol2386
SMILES: CCCOc1cccc(C(=O)O)c1
InChI: InChI=1S/C10H12O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | Hunt | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | AttenGpKa training set | 0 » -1 |