(E)-2-(4-chlorophenyl)ethenesulfonyl chloride
Formula:C8H6O2Cl2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)ethenesulfonyl chloride is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)ethenesulfonyl chloride |
| MolecularFormula | C8H6O2Cl2S |
| Smiles | O=S(/C=C/c(cc1)ccc1Cl)(Cl)=O |
| InChI | InChI=1S/C8H6Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H |
| InChIK | HVBRPCXLQIUQLT-UHFFFAOYSA-N |
| TotalMolweight | 237.106 |
| Molweight | 237.106 |
| MonoisotopicMass | 235.946554 |
| CLogP | 1.4702 |
| CLogS | -3.151 |
| H Acceptors | 2 |
| TotalSurfaceArea | 159.18 |
| Relative PSA | 0.17955 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -14.743 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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