Molecule ID: mol14667
SMILES: O=C1C(O)=C(Cc2ccccc2)C(=O)c2ccccc21
InChI: InChI=1S/C17H12O3/c18-15-12-8-4-5-9-13(12)16(19)17(20)14(15)10-11-6-2-1-3-7-11/h1-9,20H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | Datawarrior | 0 » -1 |
| 4.90 | AttenGpKa training set | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |