N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboxamide
Formula:C10H7N5O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C10H7N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2nccnc2)=O)o1)=O |
| InChI | InChI=1S/C10H7N5O4/c16-10(8-6-11-3-4-12-8)14-13-5-7-1-2-9(19-7)15(17)18/h1-6H,(H,14,16) |
| InChIK | JEUPWZGSVCSAKN-UHFFFAOYSA-N |
| TotalMolweight | 261.197 |
| Molweight | 261.197 |
| MonoisotopicMass | 261.049805 |
| CLogP | -0.1277 |
| CLogS | -2.822 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 197.87 |
| Relative PSA | 0.51792 |
| PolarSurfaceArea | 126.2 |
| Druglikeness | 3.0702 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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