| MolName | (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C14H8NO3ClS |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c(cccc3)c3Cl)o2)NC1=O |
| InChI | InChI=1S/C14H8ClNO3S/c15-10-4-2-1-3-9(10)11-6-5-8(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18) |
| InChIK | UKOAKDJZVZQHAH-UHFFFAOYSA-N |
| TotalMolweight | 305.741 |
| Molweight | 305.741 |
| MonoisotopicMass | 304.991341 |
| CLogP | 3.0343 |
| CLogS | -5.345 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.79 |
| Relative PSA | 0.3234 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | 4.0181 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione