| MolName | (E)-3-(4-chlorophenyl)-1-[4-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C30H20O3Cl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c(cc1)ccc1Oc(cc1)ccc1C(/C=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C30H20Cl2O3/c31-25-11-1-21(2-12-25)5-19-29(33)23-7-15-27(16-8-23)35-28-17-9-24(10-18-28)30(34)20-6-22-3-13-26(32)14-4-22/h1-20H |
| InChIK | NJNROXZRXLBUDF-UHFFFAOYSA-N |
| TotalMolweight | 499.392 |
| Molweight | 499.392 |
| MonoisotopicMass | 498.078949 |
| CLogP | 7.5556 |
| CLogS | -9.833 |
| H Acceptors | 3 |
| TotalSurfaceArea | 381.88 |
| Relative PSA | 0.09448 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | 0.1775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 21 |
| StereoCon |
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1 - (E)-3-(4-chlorophenyl)-1-[4-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]phenyl]prop-2-en-1-one | 2 - (E)-3-(4-chlorophenyl)-1-[4-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]phenyl]prop-2-en-1-one