(E)-2-(4-chlorophenyl)-1,3-diphenylprop-2-en-1-one
Formula:C21H15OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-(4-chlorophenyl)-1,3-diphenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)-1,3-diphenylprop-2-en-1-one |
| MolecularFormula | C21H15OCl |
| Smiles | O=C(/C(/c(cc1)ccc1Cl)=C/c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H15ClO/c22-19-13-11-17(12-14-19)20(15-16-7-3-1-4-8-16)21(23)18-9-5-2-6-10-18/h1-15H |
| InChIK | DVBLDSGHLUAKPX-UHFFFAOYSA-N |
| TotalMolweight | 318.802 |
| Molweight | 318.802 |
| MonoisotopicMass | 318.081142 |
| CLogP | 5.2466 |
| CLogS | -5.533 |
| H Acceptors | 1 |
| TotalSurfaceArea | 250.66 |
| Relative PSA | 0.052023 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.52891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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