N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
Formula:C9H4N3O2F5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide |
| MolecularFormula | C9H4N3O2F5 |
| Smiles | NC(C(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O)=O |
| InChI | InChI=1S/C9H4F5N3O2/c10-3-2(1-16-17-9(19)8(15)18)4(11)6(13)7(14)5(3)12/h1H,(H2,15,18)(H,17,19) |
| InChIK | WEYIEHMNJZRKDK-UHFFFAOYSA-N |
| TotalMolweight | 281.14 |
| Molweight | 281.14 |
| MonoisotopicMass | 281.022367 |
| CLogP | 0.5877 |
| CLogS | -3.672 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 185.25 |
| Relative PSA | 0.34721 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 0.91061 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide; polyhalo aromatic ring |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide | 2 - N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
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