(E)-2-(4-chlorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C16H9NO2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C16H9NO2ClF3S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H9ClF3NO2S/c17-13-5-7-14(8-6-13)24(22,23)15(10-21)9-11-1-3-12(4-2-11)16(18,19)20/h1-9H |
| InChIK | BNHOTYPFRCBYBP-UHFFFAOYSA-N |
| TotalMolweight | 371.765 |
| Molweight | 371.765 |
| MonoisotopicMass | 370.99946 |
| CLogP | 3.8638 |
| CLogS | -5.757 |
| H Acceptors | 3 |
| TotalSurfaceArea | 252.9 |
| Relative PSA | 0.16663 |
| PolarSurfaceArea | 66.31 |
| Druglikeness | -11.161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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