N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C14H11N4O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C14H11N4O4F3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)o1)=O |
| InChI | InChI=1S/C14H11F3N4O4/c15-14(16,17)9-2-1-3-10(6-9)18-8-12(22)20-19-7-11-4-5-13(25-11)21(23)24/h1-7,18H,8H2,(H,20,22) |
| InChIK | FJOUVIRSOWHOLN-UHFFFAOYSA-N |
| TotalMolweight | 356.259 |
| Molweight | 356.259 |
| MonoisotopicMass | 356.07324 |
| CLogP | 1.9603 |
| CLogS | -4.988 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 255.03 |
| Relative PSA | 0.36074 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | -3.6147 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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