4-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]butanamide
Formula:C9H11N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]butanamide |
| MolecularFormula | C9H11N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCCO)=O)o1)=O |
| InChI | InChI=1S/C9H11N3O5/c13-5-1-2-8(14)11-10-6-7-3-4-9(17-7)12(15)16/h3-4,6,13H,1-2,5H2,(H,11,14) |
| InChIK | JRFSWJRHAZYBNQ-UHFFFAOYSA-N |
| TotalMolweight | 241.202 |
| Molweight | 241.202 |
| MonoisotopicMass | 241.069872 |
| CLogP | 0.3584 |
| CLogS | -3.251 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 188.22 |
| Relative PSA | 0.4975 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | -2.6018 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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