2-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C15H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N4O5 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(cccc2)c2[N+]([O-])=O)=O)cc1)=O |
| InChI | InChI=1S/C15H12N4O5/c20-15(9-11-5-7-13(8-6-11)18(21)22)17-16-10-12-3-1-2-4-14(12)19(23)24/h1-8,10H,9H2,(H,17,20) |
| InChIK | TXOJQBPXZJUFAS-UHFFFAOYSA-N |
| TotalMolweight | 328.283 |
| Molweight | 328.283 |
| MonoisotopicMass | 328.080771 |
| CLogP | 1.3565 |
| CLogS | -4.606 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 248.09 |
| Relative PSA | 0.39038 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.79406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off