2-(2,4-dinitrophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C15H11N5O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,4-dinitrophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,4-dinitrophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N5O7 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)cc1)=O |
| InChI | InChI=1S/C15H11N5O7/c21-15(17-16-9-10-1-4-12(5-2-10)18(22)23)7-11-3-6-13(19(24)25)8-14(11)20(26)27/h1-6,8-9H,7H2,(H,17,21) |
| InChIK | YTGJYJVREUFOBS-UHFFFAOYSA-N |
| TotalMolweight | 373.28 |
| Molweight | 373.28 |
| MonoisotopicMass | 373.06585 |
| CLogP | 0.4349 |
| CLogS | -5.066 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 271.76 |
| Relative PSA | 0.46832 |
| PolarSurfaceArea | 178.92 |
| Druglikeness | -0.79406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2-(2,4-dinitrophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2,4-dinitrophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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