(E)-1-(4-bromophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
Formula:C20H12O2BrF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C20H12O2BrF3 |
| Smiles | O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2)o1)c(cc1)ccc1Br |
| InChI | InChI=1S/C20H12BrF3O2/c21-16-6-4-13(5-7-16)18(25)10-8-17-9-11-19(26-17)14-2-1-3-15(12-14)20(22,23)24/h1-12H |
| InChIK | YJPOZXUSBPQLTH-UHFFFAOYSA-N |
| TotalMolweight | 421.211 |
| Molweight | 421.211 |
| MonoisotopicMass | 419.997275 |
| CLogP | 5.8162 |
| CLogS | -6.912 |
| H Acceptors | 2 |
| TotalSurfaceArea | 274.81 |
| Relative PSA | 0.098796 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -7.2276 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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