(E)-1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
Formula:C15H9OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H9OCl3 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H9Cl3O/c16-12-5-3-11(4-6-12)15(19)8-2-10-1-7-13(17)14(18)9-10/h1-9H |
| InChIK | XPUCGDUSZRAVLO-UHFFFAOYSA-N |
| TotalMolweight | 311.594 |
| Molweight | 311.594 |
| MonoisotopicMass | 309.971896 |
| CLogP | 5.1218 |
| CLogS | -6.048 |
| H Acceptors | 1 |
| TotalSurfaceArea | 223.53 |
| Relative PSA | 0.058337 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one | 2 - (E)-1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off