(5E)-5-[[4-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one
Formula:C15H9OF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[4-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one is a drug-like molecule.
| MolName | (5E)-5-[[4-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one |
| MolecularFormula | C15H9OF3S2 |
| Smiles | O=C(c(ccs1)c1SC1)/C1=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H9F3OS2/c16-15(17,18)11-3-1-9(2-4-11)7-10-8-21-14-12(13(10)19)5-6-20-14/h1-7H,8H2 |
| InChIK | IWLFDFLYKRXFIX-UHFFFAOYSA-N |
| TotalMolweight | 326.361 |
| Molweight | 326.361 |
| MonoisotopicMass | 326.004689 |
| CLogP | 3.8829 |
| CLogS | -5.285 |
| H Acceptors | 1 |
| TotalSurfaceArea | 218.63 |
| Relative PSA | 0.23277 |
| PolarSurfaceArea | 70.61 |
| Druglikeness | -6.1844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (5E)-5-[[4-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one | 2 - (5E)-5-[[4-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one
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