(E)-3-phenylsulfanyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Formula:C16H12NO2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenylsulfanyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenylsulfanyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C16H12NO2F3S |
| Smiles | O=C(/C=C/Sc1ccccc1)Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C16H12F3NO2S/c17-16(18,19)22-13-8-6-12(7-9-13)20-15(21)10-11-23-14-4-2-1-3-5-14/h1-11H,(H,20,21) |
| InChIK | RYARCVAACZZZBM-UHFFFAOYSA-N |
| TotalMolweight | 339.336 |
| Molweight | 339.336 |
| MonoisotopicMass | 339.054083 |
| CLogP | 4.2818 |
| CLogS | -4.909 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.68 |
| Relative PSA | 0.21162 |
| PolarSurfaceArea | 63.63 |
| Druglikeness | -8.2642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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