| MolName | (E)-1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C19H11O2Cl3 |
| Smiles | O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H11Cl3O2/c20-14-3-1-12(2-4-14)18(23)7-5-17-6-8-19(24-17)13-9-15(21)11-16(22)10-13/h1-11H |
| InChIK | YYRWOEJXTPVZJT-UHFFFAOYSA-N |
| TotalMolweight | 377.653 |
| Molweight | 377.653 |
| MonoisotopicMass | 375.982461 |
| CLogP | 6.0607 |
| CLogS | -7.508 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.98 |
| Relative PSA | 0.099458 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 1.823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (E)-1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one | 2 - (E)-1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one