(5E)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
Formula:C16H9NO2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H9NO2ClFS |
| Smiles | O=C(/C(/SC1=O)=C\c(cc2)ccc2Cl)N1c(cc1)ccc1F |
| InChI | InChI=1S/C16H9ClFNO2S/c17-11-3-1-10(2-4-11)9-14-15(20)19(16(21)22-14)13-7-5-12(18)6-8-13/h1-9H |
| InChIK | OZSBIYXDSAMBTI-UHFFFAOYSA-N |
| TotalMolweight | 333.769 |
| Molweight | 333.769 |
| MonoisotopicMass | 333.002654 |
| CLogP | 3.9443 |
| CLogS | -5.682 |
| H Acceptors | 3 |
| TotalSurfaceArea | 229.29 |
| Relative PSA | 0.2055 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 1.9407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off