Molecule ID: mol20551
SMILES: Nc1ccc(C(=O)O)cc1C(=O)c1ccccc1
InChI: InChI=1S/C14H11NO3/c15-12-7-6-10(14(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | Baltruschat ChEMBL | 0 » -1 |
| 4.34 | AttenGpKa training set | 0 » -1 |