N'-[(Z)-(2,6-difluorophenyl)methylideneamino]oxamide
Formula:C9H7N3O2F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2,6-difluorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,6-difluorophenyl)methylideneamino]oxamide |
| MolecularFormula | C9H7N3O2F2 |
| Smiles | NC(C(N/N=C\c(c(F)ccc1)c1F)=O)=O |
| InChI | InChI=1S/C9H7F2N3O2/c10-6-2-1-3-7(11)5(6)4-13-14-9(16)8(12)15/h1-4H,(H2,12,15)(H,14,16) |
| InChIK | DUBLRABDKKHIKK-UHFFFAOYSA-N |
| TotalMolweight | 227.17 |
| Molweight | 227.17 |
| MonoisotopicMass | 227.050633 |
| CLogP | 0.2853 |
| CLogS | -2.73 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 166.2 |
| Relative PSA | 0.387 |
| 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 |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,6-difluorophenyl)methylideneamino]oxamide | 2 - N'-[(Z)-(2,6-difluorophenyl)methylideneamino]oxamide
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