Molecule ID: mol626
SMILES: C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChI: InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.01 | OCHEM | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | Hunt | 0 » -1 |