[(Z)-2-[chloro(phenyl)methyl]sulfonyl-2-phenylethenyl]benzene
Formula:C21H17O2ClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
[(Z)-2-[chloro(phenyl)methyl]sulfonyl-2-phenylethenyl]benzene is a drug-like molecule.
| MolName | [(Z)-2-[chloro(phenyl)methyl]sulfonyl-2-phenylethenyl]benzene |
| MolecularFormula | C21H17O2ClS |
| Smiles | O=S(C(c1ccccc1)Cl)(/C(/c1ccccc1)=C\c1ccccc1)=O |
| InChI | InChI=1S/C21H17ClO2S/c22-21(19-14-8-3-9-15-19)25(23,24)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-16,21H/t21-/m1/s1 |
| InChIK | CDDMUBJMRCMYME-OAQYLSRUSA-N |
| TotalMolweight | 368.883 |
| Molweight | 368.883 |
| MonoisotopicMass | 368.063777 |
| CLogP | 4.5154 |
| CLogS | -3.98 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.99 |
| Relative PSA | 0.10431 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -2.7461 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon | racemate |
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