N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
Formula:C11H9N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C11H9N3O4S |
| Smiles | [O-][N+](c1ccc(/C=N/NC(Cc2cccs2)=O)o1)=O |
| InChI | InChI=1S/C11H9N3O4S/c15-10(6-9-2-1-5-19-9)13-12-7-8-3-4-11(18-8)14(16)17/h1-5,7H,6H2,(H,13,15) |
| InChIK | QACLTFHVKPMDBV-UHFFFAOYSA-N |
| TotalMolweight | 279.275 |
| Molweight | 279.275 |
| MonoisotopicMass | 279.031377 |
| CLogP | 1.6848 |
| CLogS | -4.363 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 210.05 |
| Relative PSA | 0.48036 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 4.303 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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