2-(3-nitroanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C13H11N5O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(3-nitroanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(3-nitroanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C13H11N5O6 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNc2cccc([N+]([O-])=O)c2)=O)o1)=O |
| InChI | InChI=1S/C13H11N5O6/c19-12(8-14-9-2-1-3-10(6-9)17(20)21)16-15-7-11-4-5-13(24-11)18(22)23/h1-7,14H,8H2,(H,16,19) |
| InChIK | OTCNRYJGZMAWRN-UHFFFAOYSA-N |
| TotalMolweight | 333.259 |
| Molweight | 333.259 |
| MonoisotopicMass | 333.070935 |
| CLogP | 0.1904 |
| CLogS | -4.67 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 249.24 |
| Relative PSA | 0.49117 |
| PolarSurfaceArea | 158.27 |
| Druglikeness | 3.5753 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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