(E)-1-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C14H9OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C14H9OF3S |
| Smiles | O=C(/C=C/c1c(C(F)(F)F)cccc1)c1cccs1 |
| InChI | InChI=1S/C14H9F3OS/c15-14(16,17)11-5-2-1-4-10(11)7-8-12(18)13-6-3-9-19-13/h1-9H |
| InChIK | SJDNZXBWBPUZPG-UHFFFAOYSA-N |
| TotalMolweight | 282.284 |
| Molweight | 282.284 |
| MonoisotopicMass | 282.032619 |
| CLogP | 4.0187 |
| CLogS | -4.628 |
| H Acceptors | 1 |
| TotalSurfaceArea | 202.67 |
| Relative PSA | 0.1648 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | -4.4475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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