Molecule ID: mol2306
SMILES: C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChI: InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | OCHEM | 0 » -1 |
| 3.89 | Baltruschat ChEMBL | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | Hunt | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |