| MolName | (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H12NO2ClS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2ccc(-c3cccc(Cl)c3)o2)N1c1ccccc1 |
| InChI | InChI=1S/C20H12ClNO2S2/c21-14-6-4-5-13(11-14)17-10-9-16(24-17)12-18-19(23)22(20(25)26-18)15-7-2-1-3-8-15/h1-12H |
| InChIK | VZGFLHZMDBUJBM-UHFFFAOYSA-N |
| TotalMolweight | 397.905 |
| Molweight | 397.905 |
| MonoisotopicMass | 396.999796 |
| CLogP | 4.4372 |
| CLogS | -7.179 |
| H Acceptors | 3 |
| TotalSurfaceArea | 287.35 |
| Relative PSA | 0.26515 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 3.8271 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one