2-bromo-N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]benzamide
Formula:C12H7N2O2Br2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H7N2O2Br2I |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(o1)cc(Br)c1I |
| InChI | InChI=1S/C12H7Br2IN2O2/c13-9-4-2-1-3-8(9)12(18)17-16-6-7-5-10(14)11(15)19-7/h1-6H,(H,17,18) |
| InChIK | YIMYUUVLIQBMTC-UHFFFAOYSA-N |
| TotalMolweight | 497.908 |
| Molweight | 497.908 |
| MonoisotopicMass | 495.791898 |
| CLogP | 4.3752 |
| CLogS | -5.85 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.22 |
| Relative PSA | 0.20864 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.4677 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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