(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzothiophen-3-one
Formula:C16H9OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C16H9OF3S |
| Smiles | O=C1c(cccc2)c2S/C1=C/c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H9F3OS/c17-16(18,19)11-5-3-4-10(8-11)9-14-15(20)12-6-1-2-7-13(12)21-14/h1-9H |
| InChIK | MJQRIUFZXSKWDW-UHFFFAOYSA-N |
| TotalMolweight | 306.306 |
| Molweight | 306.306 |
| MonoisotopicMass | 306.032619 |
| CLogP | 3.918 |
| CLogS | -5.534 |
| H Acceptors | 1 |
| TotalSurfaceArea | 208.93 |
| Relative PSA | 0.14613 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | -5.7601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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