(E)-1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-phenylprop-2-en-1-one
Formula:C21H14O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C21H14O2Cl2 |
| Smiles | O=C(/C=C/c1ccccc1)c(ccc(Oc(cc1)ccc1Cl)c1)c1Cl |
| InChI | InChI=1S/C21H14Cl2O2/c22-16-7-9-17(10-8-16)25-18-11-12-19(20(23)14-18)21(24)13-6-15-4-2-1-3-5-15/h1-14H |
| InChIK | CGBQFYFQBUDGEE-UHFFFAOYSA-N |
| TotalMolweight | 369.246 |
| Molweight | 369.246 |
| MonoisotopicMass | 368.037084 |
| CLogP | 5.9114 |
| CLogS | -7.609 |
| H Acceptors | 2 |
| TotalSurfaceArea | 277.87 |
| Relative PSA | 0.082916 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.1775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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