3-(4-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
Formula:C16H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 3-(4-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole |
| MolecularFormula | C16H11N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1-c1noc(/C=C/c2ccccc2)n1)=O |
| InChI | InChI=1S/C16H11N3O3/c20-19(21)14-9-7-13(8-10-14)16-17-15(22-18-16)11-6-12-4-2-1-3-5-12/h1-11H |
| InChIK | AUEPCLFFCRPVTJ-UHFFFAOYSA-N |
| TotalMolweight | 293.281 |
| Molweight | 293.281 |
| MonoisotopicMass | 293.080042 |
| CLogP | 2.7641 |
| CLogS | -5.115 |
| H Acceptors | 6 |
| TotalSurfaceArea | 230.16 |
| Relative PSA | 0.2888 |
| PolarSurfaceArea | 84.74 |
| Druglikeness | -3.8297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-(4-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole | 2 - 3-(4-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
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