5-bromo-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C14H8N2O3BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
5-bromo-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C14H8N2O3BrI |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C14H8BrIN2O3/c15-9-1-3-11-8(5-9)6-12(21-11)14(19)18-17-7-10-2-4-13(16)20-10/h1-7H,(H,18,19) |
| InChIK | LMTMHBCRDILNML-UHFFFAOYSA-N |
| TotalMolweight | 459.033 |
| Molweight | 459.033 |
| MonoisotopicMass | 457.876302 |
| CLogP | 4.1556 |
| CLogS | -6.199 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 245.88 |
| Relative PSA | 0.26122 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | 5.2366 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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