N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
Formula:C16H9N3O2Cl3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C16H9N3O2Cl3F3 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C16H9Cl3F3N3O2/c17-9-2-1-8(13(19)5-9)7-23-25-15(27)14(26)24-10-3-4-12(18)11(6-10)16(20,21)22/h1-7H,(H,24,26)(H,25,27) |
| InChIK | YDGDLFVMLKMRBI-UHFFFAOYSA-N |
| TotalMolweight | 438.619 |
| Molweight | 438.619 |
| MonoisotopicMass | 436.971242 |
| CLogP | 4.8102 |
| CLogS | -6.511 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.92 |
| Relative PSA | 0.20728 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide | 2 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
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