N'-[(Z)-furan-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
Formula:C14H10N3O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-furan-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-furan-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C14H10N3O3F3 |
| Smiles | O=C(C(N/N=C\c1ccco1)=O)Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C14H10F3N3O3/c15-14(16,17)9-3-5-10(6-4-9)19-12(21)13(22)20-18-8-11-2-1-7-23-11/h1-8H,(H,19,21)(H,20,22) |
| InChIK | FQGJZRKTTDGNGG-UHFFFAOYSA-N |
| TotalMolweight | 325.245 |
| Molweight | 325.245 |
| MonoisotopicMass | 325.067426 |
| CLogP | 2.1809 |
| CLogS | -3.985 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.35 |
| Relative PSA | 0.31706 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | -3.6845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-furan-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-furan-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
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