(E)-3-(4-chlorophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile
Formula:C16H9NO3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile |
| MolecularFormula | C16H9NO3ClF3S |
| Smiles | N#C/C(/S(c(cc1)ccc1OC(F)(F)F)(=O)=O)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H9ClF3NO3S/c17-12-3-1-11(2-4-12)9-15(10-21)25(22,23)14-7-5-13(6-8-14)24-16(18,19)20/h1-9H |
| InChIK | LYWYKOODUGTNJA-UHFFFAOYSA-N |
| TotalMolweight | 387.764 |
| Molweight | 387.764 |
| MonoisotopicMass | 386.994375 |
| CLogP | 4.1145 |
| CLogS | -6.002 |
| H Acceptors | 4 |
| TotalSurfaceArea | 262.9 |
| Relative PSA | 0.19833 |
| PolarSurfaceArea | 75.54 |
| Druglikeness | -14.227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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