(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C20H13O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C20H13O2F3S |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2SC(F)F)o1)c(cc1)ccc1F |
| InChI | InChI=1S/C20H13F3O2S/c21-15-5-1-13(2-6-15)18(24)11-7-16-8-12-19(25-16)14-3-9-17(10-4-14)26-20(22)23/h1-12,20H |
| InChIK | TXDBONOAMUTFEN-UHFFFAOYSA-N |
| TotalMolweight | 374.381 |
| Molweight | 374.381 |
| MonoisotopicMass | 374.058834 |
| CLogP | 6.2384 |
| CLogS | -7.083 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.76 |
| Relative PSA | 0.16188 |
| PolarSurfaceArea | 55.51 |
| Druglikeness | -0.90854 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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