2-[(E)-2-(4-nitrophenyl)ethenyl]-5-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
Formula:C20H12N6O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(4-nitrophenyl)ethenyl]-5-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole |
| MolecularFormula | C20H12N6O6 |
| Smiles | [O-][N+](c1ccc(/C=C/c2nnc(-c3nnc(/C=C/c(cc4)ccc4[N+]([O-])=O)o3)o2)cc1)=O |
| InChI | InChI=1S/C20H12N6O6/c27-25(28)15-7-1-13(2-8-15)5-11-17-21-23-19(31-17)20-24-22-18(32-20)12-6-14-3-9-16(10-4-14)26(29)30/h1-12H |
| InChIK | SJHLDRHPLCTUOA-UHFFFAOYSA-N |
| TotalMolweight | 432.351 |
| Molweight | 432.351 |
| MonoisotopicMass | 432.081834 |
| CLogP | 2.0004 |
| CLogS | -6.748 |
| H Acceptors | 12 |
| TotalSurfaceArea | 327.3 |
| Relative PSA | 0.40617 |
| PolarSurfaceArea | 169.48 |
| Druglikeness | -4.8241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 18 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole | 2 - 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-[5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
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