2-benzylsulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
Formula:C17H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is a drug-like molecule.
| MolName | 2-benzylsulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole |
| MolecularFormula | C17H14N2OS |
| Smiles | C(c1ccccc1)Sc1nnc(/C=C/c2ccccc2)o1 |
| InChI | InChI=1S/C17H14N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-12H,13H2 |
| InChIK | JCNZPHHGVHTHOC-UHFFFAOYSA-N |
| TotalMolweight | 294.377 |
| Molweight | 294.377 |
| MonoisotopicMass | 294.082683 |
| CLogP | 4.1417 |
| CLogS | -4.818 |
| H Acceptors | 3 |
| TotalSurfaceArea | 237.74 |
| Relative PSA | 0.2252 |
| PolarSurfaceArea | 64.22 |
| Druglikeness | 0.88071 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-benzylsulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole | 2 - 2-benzylsulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
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