(5E)-5-[(3-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C16H10NO2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H10NO2FS |
| Smiles | O=C(/C(/SC1=O)=C\c2cc(F)ccc2)N1c1ccccc1 |
| InChI | InChI=1S/C16H10FNO2S/c17-12-6-4-5-11(9-12)10-14-15(19)18(16(20)21-14)13-7-2-1-3-8-13/h1-10H |
| InChIK | WJCPRBRXWFCASI-UHFFFAOYSA-N |
| TotalMolweight | 299.324 |
| Molweight | 299.324 |
| MonoisotopicMass | 299.041627 |
| CLogP | 3.3383 |
| CLogS | -4.946 |
| H Acceptors | 3 |
| TotalSurfaceArea | 213.87 |
| Relative PSA | 0.22032 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 1.8945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(3-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off