N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]furan-2-carboxamide
Formula:C10H6N2O3BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C10H6N2O3BrI |
| Smiles | O=C(c1ccco1)N/N=C\c(o1)cc(Br)c1I |
| InChI | InChI=1S/C10H6BrIN2O3/c11-7-4-6(17-9(7)12)5-13-14-10(15)8-2-1-3-16-8/h1-5H,(H,14,15) |
| InChIK | YOUZMMNKZUJIBI-UHFFFAOYSA-N |
| TotalMolweight | 408.973 |
| Molweight | 408.973 |
| MonoisotopicMass | 407.860652 |
| CLogP | 2.8387 |
| CLogS | -4.698 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.28 |
| Relative PSA | 0.304 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | -0.5586 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| StereoCon |
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