| MolName | (E)-1-[2-(difluoromethoxy)phenyl]-3-(2-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C16H11O2F3 |
| Smiles | O=C(/C=C/c(cccc1)c1F)c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C16H11F3O2/c17-13-7-3-1-5-11(13)9-10-14(20)12-6-2-4-8-15(12)21-16(18)19/h1-10,16H |
| InChIK | ITFYSAJMTNYARY-UHFFFAOYSA-N |
| TotalMolweight | 292.255 |
| Molweight | 292.255 |
| MonoisotopicMass | 292.071114 |
| CLogP | 3.574 |
| CLogS | -4.776 |
| H Acceptors | 2 |
| TotalSurfaceArea | 218.82 |
| Relative PSA | 0.10529 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (E)-1-[2-(difluoromethoxy)phenyl]-3-(2-fluorophenyl)prop-2-en-1-one | 2 - (E)-1-[2-(difluoromethoxy)phenyl]-3-(2-fluorophenyl)prop-2-en-1-one