N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
Formula:C21H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide |
| MolecularFormula | C21H16N4O5 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(Nc(cc2)ccc2Oc2ccccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C21H16N4O5/c26-20(21(27)24-22-14-15-5-4-6-17(13-15)25(28)29)23-16-9-11-19(12-10-16)30-18-7-2-1-3-8-18/h1-14H,(H,23,26)(H,24,27) |
| InChIK | PACITSYYJLAJGF-UHFFFAOYSA-N |
| TotalMolweight | 404.381 |
| Molweight | 404.381 |
| MonoisotopicMass | 404.112071 |
| CLogP | 2.6179 |
| CLogS | -6.282 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 309.63 |
| Relative PSA | 0.32597 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -1.4895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide | 2 - N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
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