(E)-3-(4-fluorophenyl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H9OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H9OFS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)c1cccs1 |
| InChI | InChI=1S/C13H9FOS/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H |
| InChIK | TUACRTLXMOTXHL-UHFFFAOYSA-N |
| TotalMolweight | 232.277 |
| Molweight | 232.277 |
| MonoisotopicMass | 232.035813 |
| CLogP | 3.2712 |
| CLogS | -4.164 |
| H Acceptors | 1 |
| TotalSurfaceArea | 179.56 |
| Relative PSA | 0.18601 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 1.4025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-fluorophenyl)-1-thiophen-2-ylprop-2-en-1-one | 2 - (E)-3-(4-fluorophenyl)-1-thiophen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off