Molecule ID: mol30325
SMILES: COc1ccc(C(=O)C2C(=O)N(c3ccccc3)N=C2C)cc1
InChI: InChI=1S/C18H16N2O3/c1-12-16(17(21)13-8-10-15(23-2)11-9-13)18(22)20(19-12)14-6-4-3-5-7-14/h3-11,16H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | AttenGpKa training set | 0 » -1 |