N-cyclohexyl-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
Formula:C15H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H18N4O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(C(NC2CCCCC2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C15H18N4O4/c20-14(17-12-7-2-1-3-8-12)15(21)18-16-10-11-6-4-5-9-13(11)19(22)23/h4-6,9-10,12H,1-3,7-8H2,(H,17,20)(H,18,21) |
| InChIK | GJQWVIZSWLZFEH-UHFFFAOYSA-N |
| TotalMolweight | 318.332 |
| Molweight | 318.332 |
| MonoisotopicMass | 318.132806 |
| CLogP | 1.0693 |
| CLogS | -4.052 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 247.91 |
| Relative PSA | 0.36679 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -5.6578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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