Molecule ID: mol11984
SMILES: CCC1(CCc2ccccc2)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C14H16N2O3/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | IUPAC digitized pKa | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |