N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C13H9N4O5F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C13H9N4O5F3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN(C=C(C(F)(F)F)C=C2)C2=O)=O)o1)=O |
| InChI | InChI=1S/C13H9F3N4O5/c14-13(15,16)8-1-3-11(22)19(6-8)7-10(21)18-17-5-9-2-4-12(25-9)20(23)24/h1-6H,7H2,(H,18,21) |
| InChIK | NGWMEBLKBKRLAO-UHFFFAOYSA-N |
| TotalMolweight | 358.231 |
| Molweight | 358.231 |
| MonoisotopicMass | 358.052505 |
| CLogP | 0.6182 |
| CLogS | -4.139 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.57 |
| Relative PSA | 0.38919 |
| PolarSurfaceArea | 120.73 |
| Druglikeness | -3.6255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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