(5Z)-3-(3-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9NOF2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-3-(3-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9NOF2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cccc2)c2F)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C16H9F2NOS2/c17-11-5-3-6-12(9-11)19-15(20)14(22-16(19)21)8-10-4-1-2-7-13(10)18/h1-9H |
| InChIK | FPBCSOBEYOMPQZ-UHFFFAOYSA-N |
| TotalMolweight | 333.381 |
| Molweight | 333.381 |
| MonoisotopicMass | 333.00936 |
| CLogP | 3.0939 |
| CLogS | -5.611 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.18 |
| Relative PSA | 0.26397 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 1.427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| 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 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(3-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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