N-benzyl-N-[(Z)-(4-nitrophenyl)methylideneamino]formamide
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(4-nitrophenyl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(4-nitrophenyl)methylideneamino]formamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N(Cc2ccccc2)C=O)cc1)=O |
| InChI | InChI=1S/C15H13N3O3/c19-12-17(11-14-4-2-1-3-5-14)16-10-13-6-8-15(9-7-13)18(20)21/h1-10,12H,11H2 |
| InChIK | SEHYCRNGEZWJQA-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 1.9205 |
| CLogS | -3.998 |
| H Acceptors | 6 |
| TotalSurfaceArea | 225.05 |
| Relative PSA | 0.26003 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -1.0867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-N-[(Z)-(4-nitrophenyl)methylideneamino]formamide | 2 - N-benzyl-N-[(Z)-(4-nitrophenyl)methylideneamino]formamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off