| MolName | (5Z)-5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H12NO3ClS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc2cccc(Cl)c2)NC1=O |
| InChI | InChI=1S/C17H12ClNO3S/c18-13-3-1-2-12(8-13)10-22-14-6-4-11(5-7-14)9-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21) |
| InChIK | WKGUDPFFWIPJFG-UHFFFAOYSA-N |
| TotalMolweight | 345.805 |
| Molweight | 345.805 |
| MonoisotopicMass | 345.022641 |
| CLogP | 3.4435 |
| CLogS | -5.226 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.86 |
| Relative PSA | 0.26237 |
| PolarSurfaceArea | 80.7 |
| Druglikeness | 2.8518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione