(E)-3-(4-bromophenyl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H9OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H9OBrS |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c1cccs1 |
| InChI | InChI=1S/C13H9BrOS/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H |
| InChIK | MLYVBCAMIHSXBF-UHFFFAOYSA-N |
| TotalMolweight | 293.183 |
| Molweight | 293.183 |
| MonoisotopicMass | 291.955746 |
| CLogP | 3.8956 |
| CLogS | -4.684 |
| H Acceptors | 1 |
| TotalSurfaceArea | 191.84 |
| Relative PSA | 0.1741 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 0.9525 |
| 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-bromophenyl)-1-thiophen-2-ylprop-2-en-1-one | 2 - (E)-3-(4-bromophenyl)-1-thiophen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off