(E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-phenylprop-2-enamide
Formula:C14H8N2O2BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-phenylprop-2-enamide |
| MolecularFormula | C14H8N2O2BrI |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c(o1)cc(Br)c1I |
| InChI | InChI=1S/C14H8BrIN2O2/c15-12-7-11(20-13(12)16)6-9(8-17)14(19)18-10-4-2-1-3-5-10/h1-7H,(H,18,19) |
| InChIK | GRPAXOYTRBUWER-UHFFFAOYSA-N |
| TotalMolweight | 443.034 |
| Molweight | 443.034 |
| MonoisotopicMass | 441.881387 |
| CLogP | 3.4367 |
| CLogS | -5.065 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.25 |
| Relative PSA | 0.21447 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -6.6617 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; 1,2-dihalo-alkene |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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