Molecule ID: mol30301
SMILES: CCCC(=O)C1C(=O)N(c2ccccc2)N=C1C
InChI: InChI=1S/C14H16N2O2/c1-3-7-12(17)13-10(2)15-16(14(13)18)11-8-5-4-6-9-11/h4-6,8-9,13H,3,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | QSARToolbox | 0 » -1 |
| 4.15 | AttenGpKa training set | 0 » -1 |