1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
Formula:C8H8N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one is a drug-like molecule.
| MolName | 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one |
| MolecularFormula | C8H8N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\N(CCN2)C2=O)o1)=O |
| InChI | InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13) |
| InChIK | VSVAVMVWTLLTCH-UHFFFAOYSA-N |
| TotalMolweight | 224.176 |
| Molweight | 224.176 |
| MonoisotopicMass | 224.054556 |
| CLogP | -0.02 |
| CLogS | -3.038 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 164.91 |
| Relative PSA | 0.50991 |
| PolarSurfaceArea | 103.66 |
| Druglikeness | 4.6119 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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