(E)-3-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C23H17O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H17O2F3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C23H17F3O2/c24-23(25,26)20-11-9-19(10-12-20)22(27)15-8-17-6-13-21(14-7-17)28-16-18-4-2-1-3-5-18/h1-15H,16H2 |
| InChIK | HDZNSWJRJJAEEI-UHFFFAOYSA-N |
| TotalMolweight | 382.38 |
| Molweight | 382.38 |
| MonoisotopicMass | 382.118064 |
| CLogP | 5.5002 |
| CLogS | -5.959 |
| H Acceptors | 2 |
| TotalSurfaceArea | 290.25 |
| Relative PSA | 0.07938 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -7.3275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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