3-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
Formula:C16H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 3-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole |
| MolecularFormula | C16H12N2O |
| Smiles | C(c1nc(-c2ccccc2)no1)=C/c1ccccc1 |
| InChI | InChI=1S/C16H12N2O/c1-3-7-13(8-4-1)11-12-15-17-16(18-19-15)14-9-5-2-6-10-14/h1-12H |
| InChIK | BKSWQGPNTNYZEH-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 3.6857 |
| CLogS | -4.655 |
| H Acceptors | 3 |
| TotalSurfaceArea | 206.49 |
| Relative PSA | 0.17458 |
| PolarSurfaceArea | 38.92 |
| Druglikeness | 1.2799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole | 2 - 3-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
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