(E)-1-(5-fluoro-2-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C23H16O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-fluoro-2-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(5-fluoro-2-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H16O2F4 |
| Smiles | O=C(/C=C/c1ccc(C(F)(F)F)cc1)c(cc(cc1)F)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H16F4O2/c24-19-11-13-22(29-15-17-4-2-1-3-5-17)20(14-19)21(28)12-8-16-6-9-18(10-7-16)23(25,26)27/h1-14H,15H2 |
| InChIK | BEFDTACMNUYZGV-UHFFFAOYSA-N |
| TotalMolweight | 400.37 |
| Molweight | 400.37 |
| MonoisotopicMass | 400.108642 |
| CLogP | 5.601 |
| CLogS | -6.273 |
| H Acceptors | 2 |
| TotalSurfaceArea | 296.6 |
| Relative PSA | 0.07768 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -7.3275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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