(E)-1-(4-chlorophenyl)-3-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-en-1-one
Formula:C22H14O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C22H14O3Cl2 |
| Smiles | O=C(/C=C/c1ccc(/C=C/C(c(cc2)ccc2Cl)=O)o1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H14Cl2O3/c23-17-5-1-15(2-6-17)21(25)13-11-19-9-10-20(27-19)12-14-22(26)16-3-7-18(24)8-4-16/h1-14H |
| InChIK | WJXKZFGPVWJCFQ-UHFFFAOYSA-N |
| TotalMolweight | 397.256 |
| Molweight | 397.256 |
| MonoisotopicMass | 396.031999 |
| CLogP | 5.4027 |
| CLogS | -7.242 |
| H Acceptors | 3 |
| TotalSurfaceArea | 301.81 |
| Relative PSA | 0.13316 |
| PolarSurfaceArea | 47.28 |
| Druglikeness | 1.823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 15 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-chlorophenyl)-3-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-en-1-one | 2 - (E)-1-(4-chlorophenyl)-3-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off