Molecule ID: mol12039
SMILES: CCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C15H18N2O3/c1-2-3-9-15(10-11-7-5-4-6-8-11)12(18)16-14(20)17-13(15)19/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | IUPAC digitized pKa | 0 » -1 |