N'-[(Z)-(4-bromophenyl)methylideneamino]oxamide
Formula:C9H8N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]oxamide |
| MolecularFormula | C9H8N3O2Br |
| Smiles | NC(C(N/N=C\c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C9H8BrN3O2/c10-7-3-1-6(2-4-7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15) |
| InChIK | HMRIEXYYYOWTNZ-UHFFFAOYSA-N |
| TotalMolweight | 270.086 |
| Molweight | 270.086 |
| MonoisotopicMass | 268.979988 |
| CLogP | 0.8089 |
| CLogS | -2.936 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 172.13 |
| Relative PSA | 0.37367 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 0.46061 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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