N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
Formula:C17H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide |
| MolecularFormula | C17H16N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(COc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H16N4O5/c22-16(11-18-17(23)12-26-15-4-2-1-3-5-15)20-19-10-13-6-8-14(9-7-13)21(24)25/h1-10H,11-12H2,(H,18,23)(H,20,22) |
| InChIK | YVKTZFOWYSOHLP-UHFFFAOYSA-N |
| TotalMolweight | 356.337 |
| Molweight | 356.337 |
| MonoisotopicMass | 356.112071 |
| CLogP | 0.9386 |
| CLogS | -3.728 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 277.39 |
| Relative PSA | 0.36386 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | 0.12668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
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