[4-fluoro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] benzoate
Formula:C20H13O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-fluoro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-fluoro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] benzoate |
| MolecularFormula | C20H13O3FS |
| Smiles | O=C(/C=C/c1cccs1)c(cc(cc1)F)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C20H13FO3S/c21-15-8-11-19(24-20(23)14-5-2-1-3-6-14)17(13-15)18(22)10-9-16-7-4-12-25-16/h1-13H |
| InChIK | SCMMCBLOZUHTJT-UHFFFAOYSA-N |
| TotalMolweight | 352.384 |
| Molweight | 352.384 |
| MonoisotopicMass | 352.056943 |
| CLogP | 4.7017 |
| CLogS | -5.634 |
| H Acceptors | 3 |
| TotalSurfaceArea | 267.07 |
| Relative PSA | 0.21133 |
| PolarSurfaceArea | 71.61 |
| Druglikeness | 0.99813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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