N-(4-bromophenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
Formula:C15H11N4O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H11N4O4Br |
| Smiles | [O-][N+](c1cccc(/C=N\NC(C(Nc(cc2)ccc2Br)=O)=O)c1)=O |
| InChI | InChI=1S/C15H11BrN4O4/c16-11-4-6-12(7-5-11)18-14(21)15(22)19-17-9-10-2-1-3-13(8-10)20(23)24/h1-9H,(H,18,21)(H,19,22) |
| InChIK | CWFVNTBYZGZVOS-UHFFFAOYSA-N |
| TotalMolweight | 391.18 |
| Molweight | 391.18 |
| MonoisotopicMass | 389.996367 |
| CLogP | 1.9475 |
| CLogS | -4.819 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 258.5 |
| Relative PSA | 0.35176 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -3.1958 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
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