Molecule ID: mol15755
SMILES: CC(C)(C)c1ccc2c(c1)C(=O)NC2=O
InChI: InChI=1S/C12H13NO2/c1-12(2,3)7-4-5-8-9(6-7)11(15)13-10(8)14/h4-6H,1-3H3,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.20 | QSARToolbox | 0 » -1 |
| 10.21 | Datawarrior | 0 » -1 |
| 10.21 | OCHEM | 0 » -1 |
| 10.21 | AttenGpKa training set | 0 » -1 |
| 10.21 | QSARToolbox | 0 » -1 |