Molecule ID: mol10865
SMILES: Cc1ccc(C(=O)O)c(C)c1
InChI: InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | IUPAC digitized pKa | 0 » -1 |
| 4.18 | IUPAC digitized pKa | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | Datawarrior | 0 » -1 |
| 4.19 | AttenGpKa training set | 0 » -1 |
| 4.22 | QSARToolbox | 0 » -1 |
| 4.22 | IUPAC digitized pKa | 0 » -1 |
| 4.22 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.22 | OCHEM | 0 » -1 |
| 4.22 | OCHEM | 0 » -1 |
| 4.25 | IUPAC digitized pKa | 0 » -1 |
| 4.26 | OCHEM | 0 » -1 |
| 4.27 | IUPAC digitized pKa | 0 » -1 |
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |