[(Z)-2-(benzenesulfonyl)-1-chloroethenyl]benzene
Formula:C14H11O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(benzenesulfonyl)-1-chloroethenyl]benzene is a drug-like molecule.
| MolName | [(Z)-2-(benzenesulfonyl)-1-chloroethenyl]benzene |
| MolecularFormula | C14H11O2ClS |
| Smiles | O=S(/C=C(/c1ccccc1)\Cl)(c1ccccc1)=O |
| InChI | InChI=1S/C14H11ClO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-11H |
| InChIK | WDZZZMMGCIZMGM-UHFFFAOYSA-N |
| TotalMolweight | 278.758 |
| Molweight | 278.758 |
| MonoisotopicMass | 278.016827 |
| CLogP | 2.7166 |
| CLogS | -2.858 |
| H Acceptors | 2 |
| TotalSurfaceArea | 201.73 |
| Relative PSA | 0.14167 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -12.484 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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