(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C16H11NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H11NO3S |
| Smiles | O=C(/C(/SC1=O)=C\C=C\c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C16H11NO3S/c18-15-14(10-4-8-13-9-5-11-20-13)21-16(19)17(15)12-6-2-1-3-7-12/h1-11H |
| InChIK | KCTVFQLEIJFNLZ-UHFFFAOYSA-N |
| TotalMolweight | 297.333 |
| Molweight | 297.333 |
| MonoisotopicMass | 297.045964 |
| CLogP | 3.0828 |
| CLogS | -4.626 |
| H Acceptors | 4 |
| TotalSurfaceArea | 223.71 |
| Relative PSA | 0.2737 |
| PolarSurfaceArea | 75.82 |
| Druglikeness | 3.0483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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