N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C16H11N3O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C16H11N3O2ClF3 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1Cl)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H11ClF3N3O2/c17-12-6-4-10(5-7-12)9-21-23-15(25)14(24)22-13-3-1-2-11(8-13)16(18,19)20/h1-9H,(H,22,24)(H,23,25) |
| InChIK | OGZKULSYILZXEU-UHFFFAOYSA-N |
| TotalMolweight | 369.729 |
| Molweight | 369.729 |
| MonoisotopicMass | 369.049188 |
| CLogP | 3.5982 |
| CLogS | -5.039 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.08 |
| Relative PSA | 0.23177 |
| 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 | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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