[(E)-(4-bromo-5-iodofuran-2-yl)methylideneamino]urea
Formula:C6H5N3O2BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-(4-bromo-5-iodofuran-2-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(E)-(4-bromo-5-iodofuran-2-yl)methylideneamino]urea |
| MolecularFormula | C6H5N3O2BrI |
| Smiles | NC(N/N=C/c(o1)cc(Br)c1I)=O |
| InChI | InChI=1S/C6H5BrIN3O2/c7-4-1-3(13-5(4)8)2-10-11-6(9)12/h1-2H,(H3,9,11,12) |
| InChIK | DLYUXGHCBGUYLY-UHFFFAOYSA-N |
| TotalMolweight | 357.929 |
| Molweight | 357.929 |
| MonoisotopicMass | 356.860986 |
| CLogP | 1.5837 |
| CLogS | -4.109 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 170.35 |
| Relative PSA | 0.38386 |
| PolarSurfaceArea | 80.62 |
| Druglikeness | -0.57298 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| StereoCon |
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