Molecule ID: mol14526
SMILES: O=C(O)Cc1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | Datawarrior | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.49 | AttenGpKa training set | 0 » -1 |