2-phenyl-5-[4-[(E)-2-phenylethenyl]phenyl]-1,3,4-oxadiazole
Formula:C22H16N2O
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
2-phenyl-5-[4-[(E)-2-phenylethenyl]phenyl]-1,3,4-oxadiazole is not a drug-like molecule.
| MolName | 2-phenyl-5-[4-[(E)-2-phenylethenyl]phenyl]-1,3,4-oxadiazole |
| MolecularFormula | C22H16N2O |
| Smiles | C(c1ccccc1)=C/c(cc1)ccc1-c1nnc(-c2ccccc2)o1 |
| InChI | InChI=1S/C22H16N2O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)22-24-23-21(25-22)19-9-5-2-6-10-19/h1-16H |
| InChIK | DICBXGSBLSHPSR-UHFFFAOYSA-N |
| TotalMolweight | 324.382 |
| Molweight | 324.382 |
| MonoisotopicMass | 324.126263 |
| CLogP | 5.3347 |
| CLogS | -7.626 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.25 |
| Relative PSA | 0.1354 |
| PolarSurfaceArea | 38.92 |
| Druglikeness | 0.30428 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-phenyl-5-[4-[(E)-2-phenylethenyl]phenyl]-1,3,4-oxadiazole | 2 - 2-phenyl-5-[4-[(E)-2-phenylethenyl]phenyl]-1,3,4-oxadiazole
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