1-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]sulfonylbenzene
Formula:C20H16O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]sulfonylbenzene is a drug-like molecule.
| MolName | 1-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]sulfonylbenzene |
| MolecularFormula | C20H16O4S2 |
| Smiles | O=S(/C=C/c1ccccc1)(c1cccc(S(c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C20H16O4S2/c21-25(22,15-14-17-8-3-1-4-9-17)19-12-7-13-20(16-19)26(23,24)18-10-5-2-6-11-18/h1-16H |
| InChIK | BHWDJLPXTDMNLN-UHFFFAOYSA-N |
| TotalMolweight | 384.475 |
| Molweight | 384.475 |
| MonoisotopicMass | 384.049 |
| CLogP | 3.1431 |
| CLogS | -5.245 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.44 |
| Relative PSA | 0.20677 |
| PolarSurfaceArea | 85.04 |
| Druglikeness | -14.173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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