(E)-3-(3-fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
Formula:C15H10OFI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10OFI |
| Smiles | O=C(/C=C/c1cc(F)ccc1)c(cc1)ccc1I |
| InChI | InChI=1S/C15H10FIO/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(17)8-6-12/h1-10H |
| InChIK | LIYFXRLXHMGXSQ-UHFFFAOYSA-N |
| TotalMolweight | 352.141 |
| Molweight | 352.141 |
| MonoisotopicMass | 351.976041 |
| CLogP | 3.8417 |
| CLogS | -5.17 |
| H Acceptors | 1 |
| TotalSurfaceArea | 209.9 |
| Relative PSA | 0.062125 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.53223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one | 2 - (E)-3-(3-fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off