N-[4-(difluoromethylsulfanyl)phenyl]-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C16H13N3O4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-(difluoromethylsulfanyl)phenyl]-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-[4-(difluoromethylsulfanyl)phenyl]-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C16H13N3O4F2S |
| Smiles | [O-][N+](c1cccc(/C=N\OCC(Nc(cc2)ccc2SC(F)F)=O)c1)=O |
| InChI | InChI=1S/C16H13F2N3O4S/c17-16(18)26-14-6-4-12(5-7-14)20-15(22)10-25-19-9-11-2-1-3-13(8-11)21(23)24/h1-9,16H,10H2,(H,20,22) |
| InChIK | WEMDJGPLFSXGHB-UHFFFAOYSA-N |
| TotalMolweight | 381.358 |
| Molweight | 381.358 |
| MonoisotopicMass | 381.059483 |
| CLogP | 4.1833 |
| CLogS | -5.522 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.11 |
| Relative PSA | 0.33893 |
| PolarSurfaceArea | 121.81 |
| Druglikeness | -5.653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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