(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C17H11NO2ClFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H11NO2ClFS |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2Cl)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C17H11ClFNO2S/c18-13-7-3-1-5-11(13)9-15-16(21)20(17(22)23-15)10-12-6-2-4-8-14(12)19/h1-9H,10H2 |
| InChIK | LEXLDVMGUWRUBP-UHFFFAOYSA-N |
| TotalMolweight | 347.796 |
| Molweight | 347.796 |
| MonoisotopicMass | 347.018304 |
| CLogP | 3.8672 |
| CLogS | -5.16 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.05 |
| Relative PSA | 0.19387 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 3.1051 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
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