N-(4-bromo-2-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C15H11N3O4BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-bromo-2-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(4-bromo-2-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C15H11N3O4BrF |
| Smiles | [O-][N+](c1cccc(/C=N\OCC(Nc(ccc(Br)c2)c2F)=O)c1)=O |
| InChI | InChI=1S/C15H11BrFN3O4/c16-11-4-5-14(13(17)7-11)19-15(21)9-24-18-8-10-2-1-3-12(6-10)20(22)23/h1-8H,9H2,(H,19,21) |
| InChIK | SADRPNZBZAJKQI-UHFFFAOYSA-N |
| TotalMolweight | 396.171 |
| Molweight | 396.171 |
| MonoisotopicMass | 394.991696 |
| CLogP | 3.1144 |
| CLogS | -5.201 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.4 |
| Relative PSA | 0.29464 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -6.1208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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