Molecule ID: mol30328
SMILES: CCCCCCCC(=O)C1C(=O)N(c2ccccc2)N=C1C
InChI: InChI=1S/C18H24N2O2/c1-3-4-5-6-10-13-16(21)17-14(2)19-20(18(17)22)15-11-8-7-9-12-15/h7-9,11-12,17H,3-6,10,13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | QSARToolbox | 0 » -1 |
| 5.09 | AttenGpKa training set | 0 » -1 |