(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
Formula:C10H7NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H7NO3S |
| Smiles | O=C(/C(/S1)=C/C=C/c2ccco2)NC1=O |
| InChI | InChI=1S/C10H7NO3S/c12-9-8(15-10(13)11-9)5-1-3-7-4-2-6-14-7/h1-6H,(H,11,12,13) |
| InChIK | XKFYQGRJEQOFAV-UHFFFAOYSA-N |
| TotalMolweight | 221.236 |
| Molweight | 221.236 |
| MonoisotopicMass | 221.014664 |
| CLogP | 1.3347 |
| CLogS | -3.143 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 165.11 |
| Relative PSA | 0.41875 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | 2.8933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
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