N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-pyridin-2-yloxamide
Formula:C14H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-pyridin-2-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-pyridin-2-yloxamide |
| MolecularFormula | C14H11N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc2ncccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C14H11N5O4/c20-13(17-12-3-1-2-8-15-12)14(21)18-16-9-10-4-6-11(7-5-10)19(22)23/h1-9H,(H,18,21)(H,15,17,20) |
| InChIK | JTLMAQHOGVPCJT-UHFFFAOYSA-N |
| TotalMolweight | 313.272 |
| Molweight | 313.272 |
| MonoisotopicMass | 313.081105 |
| CLogP | 0.5728 |
| CLogS | -3.715 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 238.63 |
| Relative PSA | 0.42702 |
| PolarSurfaceArea | 129.27 |
| Druglikeness | -1.4058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-pyridin-2-yloxamide | 2 - N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-pyridin-2-yloxamide
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