N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Formula:C14H9N3O4F3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C14H9N3O4F3I |
| Smiles | [O-][N+](c1c(CC(N/N=C\c(o2)ccc2I)=O)ccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C14H9F3IN3O4/c15-14(16,17)9-2-1-8(11(6-9)21(23)24)5-13(22)20-19-7-10-3-4-12(18)25-10/h1-4,6-7H,5H2,(H,20,22) |
| InChIK | ITCARADWOADLIW-UHFFFAOYSA-N |
| TotalMolweight | 467.136 |
| Molweight | 467.136 |
| MonoisotopicMass | 466.958989 |
| CLogP | 2.8496 |
| CLogS | -5.385 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 269.85 |
| Relative PSA | 0.29846 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -5.4069 |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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