N-(4-bromophenyl)-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide
Formula:C15H11N3O2Br2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H11N3O2Br2 |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Br)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C15H11Br2N3O2/c16-11-5-7-12(8-6-11)19-14(21)15(22)20-18-9-10-3-1-2-4-13(10)17/h1-9H,(H,19,21)(H,20,22) |
| InChIK | AXDODBUDVOTEFE-UHFFFAOYSA-N |
| TotalMolweight | 425.079 |
| Molweight | 425.079 |
| MonoisotopicMass | 422.921799 |
| CLogP | 3.5943 |
| CLogS | -5.193 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.46 |
| Relative PSA | 0.23874 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.9578 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide
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