(Z)-1-thiophen-2-yl-3-thiophen-3-ylprop-2-en-1-one
Formula:C11H8OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-thiophen-2-yl-3-thiophen-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-thiophen-2-yl-3-thiophen-3-ylprop-2-en-1-one |
| MolecularFormula | C11H8OS2 |
| Smiles | O=C(/C=C\c1cscc1)c1cccs1 |
| InChI | InChI=1S/C11H8OS2/c12-10(11-2-1-6-14-11)4-3-9-5-7-13-8-9/h1-8H |
| InChIK | BLXLKHPDMGGTDQ-UHFFFAOYSA-N |
| TotalMolweight | 220.316 |
| Molweight | 220.316 |
| MonoisotopicMass | 220.001655 |
| CLogP | 2.9548 |
| CLogS | -3.75 |
| H Acceptors | 1 |
| TotalSurfaceArea | 169.15 |
| Relative PSA | 0.31782 |
| PolarSurfaceArea | 73.55 |
| Druglikeness | 2.7425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-thiophen-2-yl-3-thiophen-3-ylprop-2-en-1-one | 2 - (Z)-1-thiophen-2-yl-3-thiophen-3-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off