N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
Formula:C10H9N3O3F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide |
| MolecularFormula | C10H9N3O3F2 |
| Smiles | NC(C(N/N=C\c(cccc1)c1OC(F)F)=O)=O |
| InChI | InChI=1S/C10H9F2N3O3/c11-10(12)18-7-4-2-1-3-6(7)5-14-15-9(17)8(13)16/h1-5,10H,(H2,13,16)(H,15,17) |
| InChIK | YPRWEDARMJFJBN-UHFFFAOYSA-N |
| TotalMolweight | 257.195 |
| Molweight | 257.195 |
| MonoisotopicMass | 257.061198 |
| CLogP | 0.2531 |
| CLogS | -2.724 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 188.7 |
| Relative PSA | 0.39385 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | -0.64394 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide | 2 - N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
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