N-cyclohexyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
Formula:C15H17N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-cyclohexyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H17N3O2Cl2 |
| Smiles | O=C(C(N/N=C\c(c(Cl)ccc1)c1Cl)=O)NC1CCCCC1 |
| InChI | InChI=1S/C15H17Cl2N3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,21)(H,20,22) |
| InChIK | NVCRSBBUSHCRIY-UHFFFAOYSA-N |
| TotalMolweight | 342.225 |
| Molweight | 342.225 |
| MonoisotopicMass | 341.069781 |
| CLogP | 3.2029 |
| CLogS | -5.064 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.08 |
| Relative PSA | 0.23722 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -0.56135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclohexyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide | 2 - N-cyclohexyl-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
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