(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
Formula:C19H13NO2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C19H13NO2ClFS |
| Smiles | O=C(/C(/S1)=C\C=C\c2ccccc2)N(Cc(c(F)ccc2)c2Cl)C1=O |
| InChI | InChI=1S/C19H13ClFNO2S/c20-15-9-5-10-16(21)14(15)12-22-18(23)17(25-19(22)24)11-4-8-13-6-2-1-3-7-13/h1-11H,12H2 |
| InChIK | HUNLCIDQBKWWLN-UHFFFAOYSA-N |
| TotalMolweight | 373.834 |
| Molweight | 373.834 |
| MonoisotopicMass | 373.033954 |
| CLogP | 4.5238 |
| CLogS | -5.472 |
| H Acceptors | 3 |
| TotalSurfaceArea | 269.55 |
| Relative PSA | 0.17481 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 3.2446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
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