(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide
Formula:C17H21NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C17H21NOS |
| Smiles | O=C(/C=C/Sc1ccccc1)NCCC1=CCCCC1 |
| InChI | InChI=1S/C17H21NOS/c19-17(12-14-20-16-9-5-2-6-10-16)18-13-11-15-7-3-1-4-8-15/h2,5-7,9-10,12,14H,1,3-4,8,11,13H2,(H,18,19) |
| InChIK | FHQDDCKUWMIHFE-UHFFFAOYSA-N |
| TotalMolweight | 287.426 |
| Molweight | 287.426 |
| MonoisotopicMass | 287.134384 |
| CLogP | 3.5744 |
| CLogS | -4.011 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 240.23 |
| Relative PSA | 0.17479 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -5.1039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide | 2 - (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide
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