(E)-1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
Formula:C14H10O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C14H10O2F2S |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C14H10F2O2S/c15-14(16)18-11-5-3-10(4-6-11)13(17)8-7-12-2-1-9-19-12/h1-9,14H |
| InChIK | YHHOHCYRMFPHHJ-UHFFFAOYSA-N |
| TotalMolweight | 280.293 |
| Molweight | 280.293 |
| MonoisotopicMass | 280.036956 |
| CLogP | 3.3398 |
| CLogS | -4.472 |
| H Acceptors | 2 |
| TotalSurfaceArea | 208.41 |
| Relative PSA | 0.20824 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | -0.34373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one | 2 - (E)-1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off