Molecule ID: mol10864
SMILES: Cc1cccc(C(=O)O)c1C
InChI: InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.67 | IUPAC digitized pKa | 0 » -1 |
| 3.68 | IUPAC digitized pKa | 0 » -1 |
| 3.72 | IUPAC digitized pKa | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.73 | Datawarrior | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 3.76 | IUPAC digitized pKa | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |
| 3.77 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |
| 3.79 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |