Molecule ID: mol27274
SMILES: CC1(c2ccccc2)C(=O)NC(=O)C1C(=O)O
InChI: InChI=1S/C12H11NO4/c1-12(7-5-3-2-4-6-7)8(10(15)16)9(14)13-11(12)17/h2-6,8H,1H3,(H,15,16)(H,13,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.02 | AttenGpKa training set | 0 » -1 |
| 8.96 | AttenGpKa training set | -1 » -2 |