(E)-3-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C22H15OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C22H15OF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C22H15F3O/c23-22(24,25)20-8-4-7-19(15-20)21(26)14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17/h1-15H |
| InChIK | SPILGCKCMKVNFD-UHFFFAOYSA-N |
| TotalMolweight | 352.354 |
| Molweight | 352.354 |
| MonoisotopicMass | 352.107499 |
| CLogP | 5.8113 |
| CLogS | -6.704 |
| H Acceptors | 1 |
| TotalSurfaceArea | 266.49 |
| Relative PSA | 0.048932 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -7.0775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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