Molecule ID: mol2135
SMILES: COc1cccc(CCC(=O)O)c1
InChI: InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.65 | Datawarrior | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 4.65 | Hunt | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 4.65 | AttenGpKa training set | 0 » -1 |
| 4.65 | QSARToolbox | 0 » -1 |
| 4.65 | QSARToolbox | 0 » -1 |
| 4.65 | QSARToolbox | 0 » -1 |
| 4.65 | QSARToolbox | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |