Molecule ID: mol11360
SMILES: CC(=O)Nc1cccc(C)c1C(=O)O
InChI: InChI=1S/C10H11NO3/c1-6-4-3-5-8(11-7(2)12)9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | QSARToolbox | 0 » -1 |
| 3.01 | QSARToolbox | 0 » -1 |
| 3.01 | AttenGpKa training set | 0 » -1 |