| MolName | (5E)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H18NO2ClS2 |
| Smiles | O=C(C/C(/c(cc1)ccc1Cl)=C\C(\c1ccccc1)=C(\C(N1)=O)/SC1=S)c1ccccc1 |
| InChI | InChI=1S/C26H18ClNO2S2/c27-21-13-11-17(12-14-21)20(16-23(29)19-9-5-2-6-10-19)15-22(18-7-3-1-4-8-18)24-25(30)28-26(31)32-24/h1-15H,16H2,(H,28,30,31) |
| InChIK | CRSZQINWTRBXRQ-UHFFFAOYSA-N |
| TotalMolweight | 476.019 |
| Molweight | 476.019 |
| MonoisotopicMass | 475.046746 |
| CLogP | 4.972 |
| CLogS | -6.82 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 353.25 |
| Relative PSA | 0.23505 |
| PolarSurfaceArea | 103.56 |
| Druglikeness | 2.9814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one