(E)-1-(4-chlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
Formula:C15H6OClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H6OClF5 |
| Smiles | O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H6ClF5O/c16-8-3-1-7(2-4-8)10(22)6-5-9-11(17)13(19)15(21)14(20)12(9)18/h1-6H |
| InChIK | FUJUXALYNIYWEP-UHFFFAOYSA-N |
| TotalMolweight | 332.655 |
| Molweight | 332.655 |
| MonoisotopicMass | 332.002732 |
| CLogP | 4.4138 |
| CLogS | -6.146 |
| H Acceptors | 1 |
| TotalSurfaceArea | 224.44 |
| Relative PSA | 0.0581 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.1423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-chlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one | 2 - (E)-1-(4-chlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off