Molecule ID: mol36427
SMILES: CN(CC(O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChI: InChI=1S/C25H20BrNO3/c1-27(18-13-11-17(26)12-14-18)15-21(28)23-22(16-7-3-2-4-8-16)24(29)19-9-5-6-10-20(19)25(23)30/h2-14,21,28H,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.45 | QSARToolbox | 1 » 0 |