(E)-1-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
Formula:C20H13O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C20H13O2F3 |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 |
| InChI | InChI=1S/C20H13F3O2/c21-20(22,23)16-8-4-7-15(13-16)19-12-10-17(25-19)9-11-18(24)14-5-2-1-3-6-14/h1-13H |
| InChIK | POCLWPPQQDHDFL-UHFFFAOYSA-N |
| TotalMolweight | 342.315 |
| Molweight | 342.315 |
| MonoisotopicMass | 342.086764 |
| CLogP | 5.091 |
| CLogS | -6.078 |
| H Acceptors | 2 |
| TotalSurfaceArea | 256.18 |
| Relative PSA | 0.10598 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -5.4376 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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