2-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C7H8N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C7H8N4O4 |
| Smiles | NCC(N/N=C/c1ccc([N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C7H8N4O4/c8-3-6(12)10-9-4-5-1-2-7(15-5)11(13)14/h1-2,4H,3,8H2,(H,10,12) |
| InChIK | VCYCPAXLXHPGQM-UHFFFAOYSA-N |
| TotalMolweight | 212.165 |
| Molweight | 212.165 |
| MonoisotopicMass | 212.054556 |
| CLogP | -2.675 |
| CLogS | -2.787 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 162.87 |
| Relative PSA | 0.58826 |
| PolarSurfaceArea | 126.44 |
| Druglikeness | 2.9207 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide | 2 - 2-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
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