(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C18H12O2F2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C18H12O2F2S2 |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2SC(F)F)o1)c1cccs1 |
| InChI | InChI=1S/C18H12F2O2S2/c19-18(20)24-14-7-3-12(4-8-14)16-10-6-13(22-16)5-9-15(21)17-2-1-11-23-17/h1-11,18H |
| InChIK | PKQJLXTWDZZYPY-UHFFFAOYSA-N |
| TotalMolweight | 362.419 |
| Molweight | 362.419 |
| MonoisotopicMass | 362.024676 |
| CLogP | 6.0042 |
| CLogS | -6.779 |
| H Acceptors | 2 |
| TotalSurfaceArea | 265.35 |
| Relative PSA | 0.24496 |
| PolarSurfaceArea | 83.75 |
| Druglikeness | 0.60895 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one | 2 - (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off