Molecule ID: mol836
SMILES: Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1
InChI: InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | Datawarrior | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | IUPAC digitized pKa | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | Hunt | 0 » -1 |