4-bromo-N-[(E)-(5-iodofuran-2-yl)methylideneamino]benzamide
Formula:C12H8N2O2BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(E)-(5-iodofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(5-iodofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H8N2O2BrI |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c(o1)ccc1I |
| InChI | InChI=1S/C12H8BrIN2O2/c13-9-3-1-8(2-4-9)12(17)16-15-7-10-5-6-11(14)18-10/h1-7H,(H,16,17) |
| InChIK | KJVGDUPXCLFMCP-UHFFFAOYSA-N |
| TotalMolweight | 419.012 |
| Molweight | 419.012 |
| MonoisotopicMass | 417.881387 |
| CLogP | 3.65 |
| CLogS | -5.016 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.59 |
| Relative PSA | 0.22618 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.0605 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(E)-(5-iodofuran-2-yl)methylideneamino]benzamide | 2 - 4-bromo-N-[(E)-(5-iodofuran-2-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off