N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
Formula:C14H9N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C14H9N4O5Cl |
| Smiles | [O-][N+](c1cccc(C(N/N=C/c(cc2)cc([N+]([O-])=O)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C14H9ClN4O5/c15-12-5-4-9(6-13(12)19(23)24)8-16-17-14(20)10-2-1-3-11(7-10)18(21)22/h1-8H,(H,17,20) |
| InChIK | WNNJAEFWNIGYRY-UHFFFAOYSA-N |
| TotalMolweight | 348.701 |
| Molweight | 348.701 |
| MonoisotopicMass | 348.026148 |
| CLogP | 1.9644 |
| CLogS | -5.377 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.75 |
| Relative PSA | 0.38779 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-nitrobenzamide | 2 - N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off