Molecule ID: mol2996
SMILES: O=C(O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Novartis | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |