(E)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide
Formula:C18H18NOClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C18H18NOClS |
| Smiles | O=C(/C=C/c1ccccc1)NCCSCc1cccc(Cl)c1 |
| InChI | InChI=1S/C18H18ClNOS/c19-17-8-4-7-16(13-17)14-22-12-11-20-18(21)10-9-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,20,21) |
| InChIK | GBVSEUUJNXGSFZ-UHFFFAOYSA-N |
| TotalMolweight | 331.866 |
| Molweight | 331.866 |
| MonoisotopicMass | 331.079761 |
| CLogP | 4.0733 |
| CLogS | -4.983 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 262.92 |
| Relative PSA | 0.15971 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 0.44112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide
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