(2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
Formula:C22H14N5OClF6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide is not a drug-like molecule.
| MolName | (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide |
| MolecularFormula | C22H14N5OClF6 |
| Smiles | O=C(/C(/N=N/c1ccc(C(F)(F)F)cc1)=N/Nc1ccc(C(F)(F)F)cc1)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H14ClF6N5O/c23-15-5-11-16(12-6-15)30-20(35)19(33-31-17-7-1-13(2-8-17)21(24,25)26)34-32-18-9-3-14(4-10-18)22(27,28)29/h1-12,31H,(H,30,35) |
| InChIK | YEAORNQROJPDAE-UHFFFAOYSA-N |
| TotalMolweight | 513.828 |
| Molweight | 513.828 |
| MonoisotopicMass | 513.079105 |
| CLogP | 7.8 |
| CLogS | -7.054 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 353.78 |
| Relative PSA | 0.19925 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | -7.9941 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| 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 - (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide | 2 - (2Z)-N-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]diazenyl]-2-[[4-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
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