N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C16H11N4O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C16H11N4O4F3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc2cccc(C(F)(F)F)c2)=O)=O)cc1)=O |
| InChI | InChI=1S/C16H11F3N4O4/c17-16(18,19)11-2-1-3-12(8-11)21-14(24)15(25)22-20-9-10-4-6-13(7-5-10)23(26)27/h1-9H,(H,21,24)(H,22,25) |
| InChIK | RKWXCDQFPVUYMA-UHFFFAOYSA-N |
| TotalMolweight | 380.281 |
| Molweight | 380.281 |
| MonoisotopicMass | 380.07324 |
| CLogP | 2.0706 |
| CLogS | -4.763 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 269.33 |
| Relative PSA | 0.33762 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -8.5958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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