(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-phenylprop-2-en-1-one
Formula:C15H7OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H7OF5 |
| Smiles | O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)c1ccccc1 |
| InChI | InChI=1S/C15H7F5O/c16-11-9(12(17)14(19)15(20)13(11)18)6-7-10(21)8-4-2-1-3-5-8/h1-7H |
| InChIK | JIOFBHNILKPQLI-UHFFFAOYSA-N |
| TotalMolweight | 298.21 |
| Molweight | 298.21 |
| MonoisotopicMass | 298.041705 |
| CLogP | 3.8078 |
| CLogS | -5.41 |
| H Acceptors | 1 |
| TotalSurfaceArea | 209.02 |
| Relative PSA | 0.062386 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.2275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| StereoCon |
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