(5E)-5-(furan-3-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C14H9NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(furan-3-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-(furan-3-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C14H9NO3S |
| Smiles | O=C(/C(/SC1=O)=C\c2cocc2)N1c1ccccc1 |
| InChI | InChI=1S/C14H9NO3S/c16-13-12(8-10-6-7-18-9-10)19-14(17)15(13)11-4-2-1-3-5-11/h1-9H |
| InChIK | YUCIFEDBZUGCIQ-UHFFFAOYSA-N |
| TotalMolweight | 271.295 |
| Molweight | 271.295 |
| MonoisotopicMass | 271.030314 |
| CLogP | 2.3722 |
| CLogS | -4.29 |
| H Acceptors | 4 |
| TotalSurfaceArea | 197.21 |
| Relative PSA | 0.31048 |
| PolarSurfaceArea | 75.82 |
| Druglikeness | 2.9955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-(furan-3-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-(furan-3-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
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