1-[(E)-2-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene
Formula:C15H11O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene is a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene |
| MolecularFormula | C15H11O2F3S |
| Smiles | O=S(/C=C/c1ccccc1)(c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C15H11F3O2S/c16-15(17,18)13-6-8-14(9-7-13)21(19,20)11-10-12-4-2-1-3-5-12/h1-11H |
| InChIK | RAEVCVAXHTWMBI-UHFFFAOYSA-N |
| TotalMolweight | 312.31 |
| Molweight | 312.31 |
| MonoisotopicMass | 312.043184 |
| CLogP | 3.2862 |
| CLogS | -4.487 |
| H Acceptors | 2 |
| TotalSurfaceArea | 217.56 |
| Relative PSA | 0.13137 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -8.9008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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