(5E)-5-[(4-bromophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9NOBrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-[(4-bromophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-bromophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9NOBrFS2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)ccc2Br)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C16H9BrFNOS2/c17-11-6-4-10(5-7-11)8-14-15(20)19(16(21)22-14)13-3-1-2-12(18)9-13/h1-9H |
| InChIK | NDPZVLIQRGAIPV-UHFFFAOYSA-N |
| TotalMolweight | 394.287 |
| Molweight | 394.287 |
| MonoisotopicMass | 392.929293 |
| CLogP | 3.7183 |
| CLogS | -6.131 |
| H Acceptors | 2 |
| TotalSurfaceArea | 247.46 |
| Relative PSA | 0.25087 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -0.36304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| 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)-5-[(4-bromophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-bromophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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