N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
Formula:C20H18N5O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
| MolecularFormula | C20H18N5O6Cl |
| Smiles | [O-][N+](c(ccc(/C=N\NC(C(Nc(cccc1)c1C(N1CCOCC1)=O)=O)=O)c1)c1Cl)=O |
| InChI | InChI=1S/C20H18ClN5O6/c21-15-11-13(5-6-17(15)26(30)31)12-22-24-19(28)18(27)23-16-4-2-1-3-14(16)20(29)25-7-9-32-10-8-25/h1-6,11-12H,7-10H2,(H,23,27)(H,24,28) |
| InChIK | VMOJPANRCZJOFK-UHFFFAOYSA-N |
| TotalMolweight | 459.845 |
| Molweight | 459.845 |
| MonoisotopicMass | 459.094562 |
| CLogP | 1.5026 |
| CLogS | -4.431 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 334.88 |
| Relative PSA | 0.35093 |
| PolarSurfaceArea | 145.92 |
| Druglikeness | -0.013293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide | 2 - N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off