(5E)-3-(3-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C14H8NO2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C14H8NO2FS2 |
| Smiles | O=C(/C(/SC1=O)=C\c2cccs2)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C14H8FNO2S2/c15-9-3-1-4-10(7-9)16-13(17)12(20-14(16)18)8-11-5-2-6-19-11/h1-8H |
| InChIK | DLGCZZODTXUUGL-UHFFFAOYSA-N |
| TotalMolweight | 305.353 |
| Molweight | 305.353 |
| MonoisotopicMass | 304.998047 |
| CLogP | 3.2049 |
| CLogS | -4.956 |
| H Acceptors | 3 |
| TotalSurfaceArea | 209.81 |
| Relative PSA | 0.32162 |
| PolarSurfaceArea | 90.92 |
| Druglikeness | 2.4456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(3-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-(3-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
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