N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C13H8N2O3Br3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C13H8N2O3Br3I |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C13H8Br3IN2O3/c14-7-3-9(15)13(10(16)4-7)21-6-12(20)19-18-5-8-1-2-11(17)22-8/h1-5H,6H2,(H,19,20) |
| InChIK | YJUJXVXYLXJCRG-UHFFFAOYSA-N |
| TotalMolweight | 606.83 |
| Molweight | 606.83 |
| MonoisotopicMass | 603.712974 |
| CLogP | 4.6753 |
| CLogS | -6.464 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.61 |
| Relative PSA | 0.21273 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.9958 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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