[(E)-1-benzylsulfanyl-3-phenylprop-2-enyl]sulfanylmethylbenzene
Formula:C23H22S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1-benzylsulfanyl-3-phenylprop-2-enyl]sulfanylmethylbenzene is not a drug-like molecule.
| MolName | [(E)-1-benzylsulfanyl-3-phenylprop-2-enyl]sulfanylmethylbenzene |
| MolecularFormula | C23H22S2 |
| Smiles | C(c1ccccc1)SC(/C=C/c1ccccc1)SCc1ccccc1 |
| InChI | InChI=1S/C23H22S2/c1-4-10-20(11-5-1)16-17-23(24-18-21-12-6-2-7-13-21)25-19-22-14-8-3-9-15-22/h1-17,23H,18-19H2 |
| InChIK | CNHUOVMDLVOTFW-UHFFFAOYSA-N |
| TotalMolweight | 362.56 |
| Molweight | 362.56 |
| MonoisotopicMass | 362.11629 |
| CLogP | 6.1899 |
| CLogS | -6.332 |
| TotalSurfaceArea | 294.28 |
| Relative PSA | 0.11887 |
| PolarSurfaceArea | 50.6 |
| Druglikeness | 0.36441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 12 |
| StereoCon |
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