(2E)-N-phenyl-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
Formula:C22H15N5OF6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-N-phenyl-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide is not a drug-like molecule.
| MolName | (2E)-N-phenyl-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide |
| MolecularFormula | C22H15N5OF6 |
| Smiles | O=C(/C(/N=N/c1ccc(C(F)(F)F)cc1)=N\Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1 |
| InChI | InChI=1S/C22H15F6N5O/c23-21(24,25)14-6-10-17(11-7-14)30-32-19(20(34)29-16-4-2-1-3-5-16)33-31-18-12-8-15(9-13-18)22(26,27)28/h1-13,30H,(H,29,34) |
| InChIK | HKCXEZGKSNVPLS-UHFFFAOYSA-N |
| TotalMolweight | 479.383 |
| Molweight | 479.383 |
| MonoisotopicMass | 479.118078 |
| CLogP | 7.194 |
| CLogS | -6.318 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 338.36 |
| Relative PSA | 0.20833 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | -8.0233 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-N-phenyl-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide | 2 - (2E)-N-phenyl-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
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