(5E)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
Formula:C11H6NOF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C11H6NOF3S2 |
| Smiles | O=C(/C(/S1)=C\c2ccc(C(F)(F)F)cc2)NC1=S |
| InChI | InChI=1S/C11H6F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17) |
| InChIK | ZXSOIGQCMUHMHG-UHFFFAOYSA-N |
| TotalMolweight | 289.301 |
| Molweight | 289.301 |
| MonoisotopicMass | 288.984288 |
| CLogP | 1.9925 |
| CLogS | -4.278 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 193.34 |
| Relative PSA | 0.362 |
| PolarSurfaceArea | 86.49 |
| Druglikeness | -4.8389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one | 2 - (5E)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
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