Molecule ID: mol29574
SMILES: Nc1ccccc1-c1ccc(C(=O)O)o1
InChI: InChI=1S/C11H9NO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,12H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.44 | AttenGpKa training set | 1 » 0 |
| 3.93 | AttenGpKa training set | 0 » -1 |