(E)-1,2-bis(chlorosulfonylperoxy)ethene
Formula:C2H2O8Cl2S2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-1,2-bis(chlorosulfonylperoxy)ethene is a drug-like molecule.
| MolName | (E)-1,2-bis(chlorosulfonylperoxy)ethene |
| MolecularFormula | C2H2O8Cl2S2 |
| Smiles | O=S(OO/C=C/OOS(Cl)(=O)=O)(Cl)=O |
| InChI | InChI=1S/C2H2Cl2O8S2/c3-13(5,6)11-9-1-2-10-12-14(4,7)8/h1-2H |
| InChIK | FBDHISNBRYPBTQ-UHFFFAOYSA-N |
| TotalMolweight | 289.068 |
| Molweight | 289.068 |
| MonoisotopicMass | 287.856814 |
| CLogP | -0.4014 |
| CLogS | -3.592 |
| H Acceptors | 8 |
| TotalSurfaceArea | 168 |
| Relative PSA | 0.57833 |
| PolarSurfaceArea | 121.96 |
| Druglikeness | -14.573 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I; peroxo |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| StereoCon |
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