| MolName | (5Z)-3-(4-chlorophenyl)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C23H15NO3ClFS |
| Smiles | O=C(/C(/SC1=O)=C/c(cccc2)c2OCc(cccc2)c2F)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H15ClFNO3S/c24-17-9-11-18(12-10-17)26-22(27)21(30-23(26)28)13-15-5-2-4-8-20(15)29-14-16-6-1-3-7-19(16)25/h1-13H,14H2 |
| InChIK | TUTOPTQYNXNIAI-UHFFFAOYSA-N |
| TotalMolweight | 439.893 |
| Molweight | 439.893 |
| MonoisotopicMass | 439.044519 |
| CLogP | 5.2924 |
| CLogS | -7.023 |
| H Acceptors | 4 |
| TotalSurfaceArea | 312.81 |
| Relative PSA | 0.1826 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 1.6974 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(4-chlorophenyl)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione