(2E)-2-[(3,4-dichlorophenyl)diazenyl]-2-[(3,4-dichlorophenyl)hydrazinylidene]-N-phenylacetamide
Formula:C20H13N5OCl4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
(2E)-2-[(3,4-dichlorophenyl)diazenyl]-2-[(3,4-dichlorophenyl)hydrazinylidene]-N-phenylacetamide is not a drug-like molecule.
| MolName | (2E)-2-[(3,4-dichlorophenyl)diazenyl]-2-[(3,4-dichlorophenyl)hydrazinylidene]-N-phenylacetamide |
| MolecularFormula | C20H13N5OCl4 |
| Smiles | O=C(/C(/N=N/c(cc1)cc(Cl)c1Cl)=N\Nc(cc1)cc(Cl)c1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C20H13Cl4N5O/c21-15-8-6-13(10-17(15)23)26-28-19(20(30)25-12-4-2-1-3-5-12)29-27-14-7-9-16(22)18(24)11-14/h1-11,26H,(H,25,30) |
| InChIK | NWBMTQGQGQZCTK-UHFFFAOYSA-N |
| TotalMolweight | 481.169 |
| Molweight | 481.169 |
| MonoisotopicMass | 478.987418 |
| CLogP | 7.9214 |
| CLogS | -7.706 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 341.12 |
| Relative PSA | 0.20664 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | -0.80411 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[(3,4-dichlorophenyl)diazenyl]-2-[(3,4-dichlorophenyl)hydrazinylidene]-N-phenylacetamide | 2 - (2E)-2-[(3,4-dichlorophenyl)diazenyl]-2-[(3,4-dichlorophenyl)hydrazinylidene]-N-phenylacetamide
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