N-(furan-2-ylmethyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
Formula:C14H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C14H12N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(NCc2ccco2)=O)=O)cc1)=O |
| InChI | InChI=1S/C14H12N4O5/c19-13(15-9-12-2-1-7-23-12)14(20)17-16-8-10-3-5-11(6-4-10)18(21)22/h1-8H,9H2,(H,15,19)(H,17,20) |
| InChIK | FZPMTZRTUKBGLN-UHFFFAOYSA-N |
| TotalMolweight | 316.272 |
| Molweight | 316.272 |
| MonoisotopicMass | 316.080771 |
| CLogP | 0.1204 |
| CLogS | -3.483 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 243.32 |
| Relative PSA | 0.43169 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | -1.1426 |
| 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 | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(furan-2-ylmethyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide | 2 - N-(furan-2-ylmethyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
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