[(E)-1-chloro-2-iodo-2-phenylethenyl]benzene
Formula:C14H10ClI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-1-chloro-2-iodo-2-phenylethenyl]benzene is a drug-like molecule.
| MolName | [(E)-1-chloro-2-iodo-2-phenylethenyl]benzene |
| MolecularFormula | C14H10ClI |
| Smiles | Cl/C(/c1ccccc1)=C(\c1ccccc1)/I |
| InChI | InChI=1S/C14H10ClI/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H |
| InChIK | AYGQIZWHXPPPHA-UHFFFAOYSA-N |
| TotalMolweight | 340.586 |
| Molweight | 340.586 |
| MonoisotopicMass | 339.951575 |
| CLogP | 4.8074 |
| CLogS | -1.773 |
| TotalSurfaceArea | 197.64 |
| Druglikeness | -0.44083 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; 1,2-dihalo-alkene |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-1-chloro-2-iodo-2-phenylethenyl]benzene | 2 - [(E)-1-chloro-2-iodo-2-phenylethenyl]benzene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off