N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]cyclopropanecarboxamide
Formula:C9H9N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C9H9N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C2CC2)=O)o1)=O |
| InChI | InChI=1S/C9H9N3O4/c13-9(6-1-2-6)11-10-5-7-3-4-8(16-7)12(14)15/h3-6H,1-2H2,(H,11,13) |
| InChIK | DULLFHAXBCRLSN-UHFFFAOYSA-N |
| TotalMolweight | 223.187 |
| Molweight | 223.187 |
| MonoisotopicMass | 223.059307 |
| CLogP | 0.6944 |
| CLogS | -3.734 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 167.11 |
| Relative PSA | 0.48196 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 4.1432 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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