3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazinan-2-one
Formula:C9H9N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazinan-2-one is a drug-like molecule.
| MolName | 3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazinan-2-one |
| MolecularFormula | C9H9N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\N(CCCO2)C2=O)o1)=O |
| InChI | InChI=1S/C9H9N3O5/c13-9-11(4-1-5-16-9)10-6-7-2-3-8(17-7)12(14)15/h2-3,6H,1,4-5H2 |
| InChIK | NOZLWTTVYNQLNJ-UHFFFAOYSA-N |
| TotalMolweight | 239.186 |
| Molweight | 239.186 |
| MonoisotopicMass | 239.054222 |
| CLogP | 0.4655 |
| CLogS | -3.444 |
| H Acceptors | 8 |
| TotalSurfaceArea | 177.21 |
| Relative PSA | 0.46628 |
| PolarSurfaceArea | 100.86 |
| Druglikeness | -0.50449 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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