(E)-2-(benzenesulfonyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile
Formula:C16H10NO3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile |
| MolecularFormula | C16H10NO3F3S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cccc1)c1OC(F)(F)F |
| InChI | InChI=1S/C16H10F3NO3S/c17-16(18,19)23-15-9-5-4-6-12(15)10-14(11-20)24(21,22)13-7-2-1-3-8-13/h1-10H |
| InChIK | YTACMQDGZQPEMN-UHFFFAOYSA-N |
| TotalMolweight | 353.319 |
| Molweight | 353.319 |
| MonoisotopicMass | 353.033348 |
| CLogP | 3.5085 |
| CLogS | -5.266 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.48 |
| Relative PSA | 0.21068 |
| PolarSurfaceArea | 75.54 |
| Druglikeness | -19.951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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