2-cyano-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
Formula:C11H9N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C11H9N3O2F2 |
| Smiles | N#CCC(N/N=C\c(cccc1)c1OC(F)F)=O |
| InChI | InChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)7-15-16-10(17)5-6-14/h1-4,7,11H,5H2,(H,16,17) |
| InChIK | KHXXROZIDFQJEI-UHFFFAOYSA-N |
| TotalMolweight | 253.207 |
| Molweight | 253.207 |
| MonoisotopicMass | 253.066283 |
| CLogP | 1.6272 |
| CLogS | -3.591 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 197.9 |
| Relative PSA | 0.30101 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -5.7655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
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