(3E)-5-thiophen-2-yl-3-(thiophen-2-ylmethylidene)furan-2-one
Formula:C13H8O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-thiophen-2-yl-3-(thiophen-2-ylmethylidene)furan-2-one is a drug-like molecule.
| MolName | (3E)-5-thiophen-2-yl-3-(thiophen-2-ylmethylidene)furan-2-one |
| MolecularFormula | C13H8O2S2 |
| Smiles | O=C1OC(c2cccs2)=C/C1=C\c1cccs1 |
| InChI | InChI=1S/C13H8O2S2/c14-13-9(7-10-3-1-5-16-10)8-11(15-13)12-4-2-6-17-12/h1-8H |
| InChIK | NFBSMQJLVCRNEK-UHFFFAOYSA-N |
| TotalMolweight | 260.337 |
| Molweight | 260.337 |
| MonoisotopicMass | 259.99657 |
| CLogP | 3.1564 |
| CLogS | -3.697 |
| H Acceptors | 2 |
| TotalSurfaceArea | 188.57 |
| Relative PSA | 0.33812 |
| PolarSurfaceArea | 82.78 |
| Druglikeness | 2.1208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-5-thiophen-2-yl-3-(thiophen-2-ylmethylidene)furan-2-one | 2 - (3E)-5-thiophen-2-yl-3-(thiophen-2-ylmethylidene)furan-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off