N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
Formula:C21H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(COc(cc2)ccc2-c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C21H17N3O4/c25-21(23-22-14-18-8-4-5-9-20(18)24(26)27)15-28-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14H,15H2,(H,23,25) |
| InChIK | IAURQYNSJOHKHT-UHFFFAOYSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 3.5141 |
| CLogS | -6.047 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.18 |
| Relative PSA | 0.25981 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.93238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off