[(E)-4-(benzenesulfinyl)but-2-enyl]sulfinylbenzene
Formula:C16H16O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-4-(benzenesulfinyl)but-2-enyl]sulfinylbenzene is a drug-like molecule.
| MolName | [(E)-4-(benzenesulfinyl)but-2-enyl]sulfinylbenzene |
| MolecularFormula | C16H16O2S2 |
| Smiles | O=S(C/C=C/CS(c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C16H20O2S2/c17-19(15-9-3-1-4-10-15)13-7-8-14-20(18)16-11-5-2-6-12-16/h1-12H,13-14,19-20H2 |
| InChIK | CACZQRAFPLQGCX-UHFFFAOYSA-N |
| TotalMolweight | 304.433 |
| Molweight | 304.433 |
| MonoisotopicMass | 304.05917 |
| CLogP | 3.0038 |
| CLogS | -2.206 |
| H Acceptors | 2 |
| TotalSurfaceArea | 232.48 |
| Relative PSA | 0.19546 |
| PolarSurfaceArea | 72.56 |
| Druglikeness | -2.9326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon | unknown chirality |
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