N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
Formula:C21H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C21H16N3O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(C(c1ccccc1)c1ccccc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C21H16ClN3O3/c22-18-12-11-15(13-19(18)25(27)28)14-23-24-21(26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,(H,24,26) |
| InChIK | XMTYIFLISLDGEQ-UHFFFAOYSA-N |
| TotalMolweight | 393.829 |
| Molweight | 393.829 |
| MonoisotopicMass | 393.088019 |
| CLogP | 4.4117 |
| CLogS | -6.031 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 298.34 |
| Relative PSA | 0.22267 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | 0.010137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(4-chloro-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off