(E)-3-[2-(difluoromethoxy)phenyl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C14H10O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)phenyl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)phenyl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C14H10O2F2S |
| Smiles | O=C(/C=C/c(cccc1)c1OC(F)F)c1cccs1 |
| InChI | InChI=1S/C14H10F2O2S/c15-14(16)18-12-5-2-1-4-10(12)7-8-11(17)13-6-3-9-19-13/h1-9,14H |
| InChIK | YDTDXKKEXMIKNC-UHFFFAOYSA-N |
| TotalMolweight | 280.293 |
| Molweight | 280.293 |
| MonoisotopicMass | 280.036956 |
| CLogP | 3.3398 |
| CLogS | -4.472 |
| H Acceptors | 2 |
| TotalSurfaceArea | 208.41 |
| Relative PSA | 0.20824 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | -0.053821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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