(E)-3-(2,4-dichlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C21H14OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H14OCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H14Cl2O/c22-19-12-10-17(20(23)14-19)11-13-21(24)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H |
| InChIK | FSFFSHQVBVLQLB-UHFFFAOYSA-N |
| TotalMolweight | 353.247 |
| Molweight | 353.247 |
| MonoisotopicMass | 352.042169 |
| CLogP | 6.175 |
| CLogS | -7.398 |
| H Acceptors | 1 |
| TotalSurfaceArea | 267.87 |
| Relative PSA | 0.04868 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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