N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-cyanoacetamide
Formula:C8H5N3O2BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C8H5N3O2BrI |
| Smiles | N#CCC(N/N=C\c(o1)cc(Br)c1I)=O |
| InChI | InChI=1S/C8H5BrIN3O2/c9-6-3-5(15-8(6)10)4-12-13-7(14)1-2-11/h3-4H,1H2,(H,13,14) |
| InChIK | RGOWRPSKPCNCAB-UHFFFAOYSA-N |
| TotalMolweight | 381.951 |
| Molweight | 381.951 |
| MonoisotopicMass | 380.860986 |
| CLogP | 1.9062 |
| CLogS | -4.264 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 197.3 |
| Relative PSA | 0.32276 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -7.691 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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