(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C20H12NO3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H12NO3ClS |
| Smiles | O=C(/C(/SC1=O)=C\c2ccc(-c3cccc(Cl)c3)o2)N1c1ccccc1 |
| InChI | InChI=1S/C20H12ClNO3S/c21-14-6-4-5-13(11-14)17-10-9-16(25-17)12-18-19(23)22(20(24)26-18)15-7-2-1-3-8-15/h1-12H |
| InChIK | QSNJJCWHNGNZDZ-UHFFFAOYSA-N |
| TotalMolweight | 381.838 |
| Molweight | 381.838 |
| MonoisotopicMass | 381.022641 |
| CLogP | 4.7824 |
| CLogS | -6.828 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.39 |
| Relative PSA | 0.22479 |
| PolarSurfaceArea | 75.82 |
| Druglikeness | 4.1989 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
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