(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C10H5NO2BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H5NO2BrFS |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc(Br)c2F)NC1=O |
| InChI | InChI=1S/C10H5BrFNO2S/c11-6-3-5(1-2-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15) |
| InChIK | WCVDDMXMFUOJCX-UHFFFAOYSA-N |
| TotalMolweight | 302.123 |
| Molweight | 302.123 |
| MonoisotopicMass | 300.920838 |
| CLogP | 2.3154 |
| CLogS | -4.297 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 173.9 |
| Relative PSA | 0.31645 |
| PolarSurfaceArea | 71.47 |
| Druglikeness | -0.11994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
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