(E)-3-(4-phenylphenyl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C19H14OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-phenylphenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-phenylphenyl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H14OS |
| Smiles | O=C(/C=C/c(cc1)ccc1-c1ccccc1)c1cccs1 |
| InChI | InChI=1S/C19H14OS/c20-18(19-7-4-14-21-19)13-10-15-8-11-17(12-9-15)16-5-2-1-3-6-16/h1-14H |
| InChIK | PUBVTYYUBAGESR-UHFFFAOYSA-N |
| TotalMolweight | 290.385 |
| Molweight | 290.385 |
| MonoisotopicMass | 290.076535 |
| CLogP | 4.8296 |
| CLogS | -5.936 |
| H Acceptors | 1 |
| TotalSurfaceArea | 232.97 |
| Relative PSA | 0.14337 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 2.7425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-phenylphenyl)-1-thiophen-2-ylprop-2-en-1-one | 2 - (E)-3-(4-phenylphenyl)-1-thiophen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off