2-(3-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C15H12N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N4O6 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc2cccc([N+]([O-])=O)c2)=O)cc1)=O |
| InChI | InChI=1S/C15H12N4O6/c20-15(10-25-14-3-1-2-13(8-14)19(23)24)17-16-9-11-4-6-12(7-5-11)18(21)22/h1-9H,10H2,(H,17,20) |
| InChIK | RQBKSDADJKWXKQ-UHFFFAOYSA-N |
| TotalMolweight | 344.282 |
| Molweight | 344.282 |
| MonoisotopicMass | 344.075686 |
| CLogP | 0.9333 |
| CLogS | -4.421 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 258.09 |
| Relative PSA | 0.414 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -0.93238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-(3-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(3-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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