N'-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]oxamide
Formula:C11H9N3O4F4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]oxamide |
| MolecularFormula | C11H9N3O4F4 |
| Smiles | NC(C(N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F)=O)=O |
| InChI | InChI=1S/C11H9F4N3O4/c12-10(13)21-6-2-1-5(7(3-6)22-11(14)15)4-17-18-9(20)8(16)19/h1-4,10-11H,(H2,16,19)(H,18,20) |
| InChIK | LHZOGUAWBZUPGE-UHFFFAOYSA-N |
| TotalMolweight | 323.201 |
| Molweight | 323.201 |
| MonoisotopicMass | 323.052919 |
| CLogP | 0.4225 |
| CLogS | -3.346 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 223.9 |
| Relative PSA | 0.3766 |
| PolarSurfaceArea | 103.01 |
| 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 | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]oxamide | 2 - N'-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]oxamide
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