(E)-N-(4-fluorophenyl)-3-thiophen-3-ylprop-2-enamide
Formula:C13H10NOFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-fluorophenyl)-3-thiophen-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-fluorophenyl)-3-thiophen-3-ylprop-2-enamide |
| MolecularFormula | C13H10NOFS |
| Smiles | O=C(/C=C/c1cscc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C13H10FNOS/c14-11-2-4-12(5-3-11)15-13(16)6-1-10-7-8-17-9-10/h1-9H,(H,15,16) |
| InChIK | CIYWGLIZJAXNFS-UHFFFAOYSA-N |
| TotalMolweight | 247.292 |
| Molweight | 247.292 |
| MonoisotopicMass | 247.046712 |
| CLogP | 3.0215 |
| CLogS | -3.712 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 191.02 |
| Relative PSA | 0.23484 |
| PolarSurfaceArea | 57.34 |
| Druglikeness | -1.0188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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