1-[(E)-2-(3-bromophenyl)ethenyl]sulfonylpiperidine
Formula:C13H16NO2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-(3-bromophenyl)ethenyl]sulfonylpiperidine is a drug-like molecule.
| MolName | 1-[(E)-2-(3-bromophenyl)ethenyl]sulfonylpiperidine |
| MolecularFormula | C13H16NO2BrS |
| Smiles | O=S(/C=C/c1cccc(Br)c1)(N1CCCCC1)=O |
| InChI | InChI=1S/C13H16BrNO2S/c14-13-6-4-5-12(11-13)7-10-18(16,17)15-8-2-1-3-9-15/h4-7,10-11H,1-3,8-9H2 |
| InChIK | QWBGRUIFBXASPD-UHFFFAOYSA-N |
| TotalMolweight | 330.245 |
| Molweight | 330.245 |
| MonoisotopicMass | 329.00851 |
| CLogP | 3.1175 |
| CLogS | -3.975 |
| H Acceptors | 3 |
| TotalSurfaceArea | 212.57 |
| Relative PSA | 0.15115 |
| PolarSurfaceArea | 45.76 |
| Druglikeness | -3.2721 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(E)-2-(3-bromophenyl)ethenyl]sulfonylpiperidine | 2 - 1-[(E)-2-(3-bromophenyl)ethenyl]sulfonylpiperidine
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