N-(4-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
Formula:C15H10N3O2BrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H10N3O2BrCl2 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C15H10BrCl2N3O2/c16-10-2-5-12(6-3-10)20-14(22)15(23)21-19-8-9-1-4-11(17)7-13(9)18/h1-8H,(H,20,22)(H,21,23) |
| InChIK | KUQWCVCUMMFPBY-UHFFFAOYSA-N |
| TotalMolweight | 415.073 |
| Molweight | 415.073 |
| MonoisotopicMass | 412.933342 |
| CLogP | 4.0811 |
| CLogS | -5.831 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.67 |
| Relative PSA | 0.22776 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.97 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-(2,4-dichlorophenyl)methylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
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