Molecule ID: mol22969
SMILES: Cc1c(C(=O)O)cc(O)c2c(O)cccc12
InChI: InChI=1S/C12H10O4/c1-6-7-3-2-4-9(13)11(7)10(14)5-8(6)12(15)16/h2-5,13-14H,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | AttenGpKa training set | 0 » -1 |
| 7.80 | AttenGpKa training set | -1 » -2 |