2-[(4-nitrophenyl)methylidene]-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]propanediamide
Formula:C24H17N7O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-nitrophenyl)methylidene]-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]propanediamide is not a drug-like molecule.
| MolName | 2-[(4-nitrophenyl)methylidene]-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]propanediamide |
| MolecularFormula | C24H17N7O8 |
| Smiles | [O-][N+](c1ccc(C=C(C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)cc1)=O |
| InChI | InChI=1S/C24H17N7O8/c32-23(27-25-14-17-3-9-20(10-4-17)30(36)37)22(13-16-1-7-19(8-2-16)29(34)35)24(33)28-26-15-18-5-11-21(12-6-18)31(38)39/h1-15H,(H,27,32)(H,28,33) |
| InChIK | GMFBRDKLZFHNOO-UHFFFAOYSA-N |
| TotalMolweight | 531.44 |
| Molweight | 531.44 |
| MonoisotopicMass | 531.113863 |
| CLogP | 2.153 |
| CLogS | -7.162 |
| H Acceptors | 15 |
| H Donors | 2 |
| TotalSurfaceArea | 396.44 |
| Relative PSA | 0.41187 |
| PolarSurfaceArea | 220.38 |
| Druglikeness | 0.43938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 18 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2-[(4-nitrophenyl)methylidene]-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]propanediamide | 2 - 2-[(4-nitrophenyl)methylidene]-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]propanediamide
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