N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
Formula:C15H13N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide |
| MolecularFormula | C15H13N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(NCc2ccncc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C15H13N5O4/c21-14(17-9-12-5-7-16-8-6-12)15(22)19-18-10-11-1-3-13(4-2-11)20(23)24/h1-8,10H,9H2,(H,17,21)(H,19,22) |
| InChIK | DEHDZAJXXYPJQK-UHFFFAOYSA-N |
| TotalMolweight | 327.299 |
| Molweight | 327.299 |
| MonoisotopicMass | 327.096755 |
| CLogP | -0.0692 |
| CLogS | -3.006 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 252.39 |
| Relative PSA | 0.40374 |
| PolarSurfaceArea | 129.27 |
| Druglikeness | -1.0778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide | 2 - N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
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