| MolName | (E)-1-(4-bromophenyl)-3-(3,5-difluorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H9OBrF2 |
| Smiles | O=C(/C=C/c1cc(F)cc(F)c1)c(cc1)ccc1Br |
| InChI | InChI=1S/C15H9BrF2O/c16-12-4-2-11(3-5-12)15(19)6-1-10-7-13(17)9-14(18)8-10/h1-9H |
| InChIK | YXLXIDYHXGTBAU-UHFFFAOYSA-N |
| TotalMolweight | 323.135 |
| Molweight | 323.135 |
| MonoisotopicMass | 321.980482 |
| CLogP | 4.2306 |
| CLogS | -5.302 |
| H Acceptors | 1 |
| TotalSurfaceArea | 208.6 |
| Relative PSA | 0.062512 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.0175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (E)-1-(4-bromophenyl)-3-(3,5-difluorophenyl)prop-2-en-1-one | 2 - (E)-1-(4-bromophenyl)-3-(3,5-difluorophenyl)prop-2-en-1-one