N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
Formula:C15H9N3O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H9N3O2Cl4 |
| Smiles | O=C(C(N/N=C\c(c(Cl)ccc1)c1Cl)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H9Cl4N3O2/c16-10-2-1-3-11(17)9(10)7-20-22-15(24)14(23)21-8-4-5-12(18)13(19)6-8/h1-7H,(H,21,23)(H,22,24) |
| InChIK | QTYYQJIIZRRCKO-UHFFFAOYSA-N |
| TotalMolweight | 405.067 |
| Molweight | 405.067 |
| MonoisotopicMass | 402.944885 |
| CLogP | 4.5679 |
| CLogS | -6.469 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.88 |
| Relative PSA | 0.21776 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide | 2 - N-(3,4-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
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