N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
Formula:C21H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C21H17N3O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(c2ccccc2)c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H17N3O3/c25-21(23-22-15-16-8-7-13-19(14-16)24(26)27)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,20H,(H,23,25) |
| InChIK | BMLFEBAMKOVANE-UHFFFAOYSA-N |
| TotalMolweight | 359.384 |
| Molweight | 359.384 |
| MonoisotopicMass | 359.126992 |
| CLogP | 3.8057 |
| CLogS | -5.295 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 282.92 |
| Relative PSA | 0.2348 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.0095932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off