Molecule ID: mol1867
SMILES: Cc1ccc(CCC(=O)O)cc1
InChI: InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | Hunt | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | AttenGpKa training set | 0 » -1 |
| 4.74 | QSARToolbox | 0 » -1 |
| 4.74 | QSARToolbox | 0 » -1 |
| 4.74 | OCHEM | 0 » -1 |
| 4.74 | IUPAC digitized pKa | 0 » -1 |
| 4.74 | Datawarrior | 0 » -1 |