(E)-3-(4-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C21H15OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H15OCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15ClO/c22-20-13-6-16(7-14-20)8-15-21(23)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H |
| InChIK | ITOPRUNXNYEDGQ-UHFFFAOYSA-N |
| TotalMolweight | 318.802 |
| Molweight | 318.802 |
| MonoisotopicMass | 318.081142 |
| CLogP | 5.569 |
| CLogS | -6.662 |
| H Acceptors | 1 |
| TotalSurfaceArea | 252.45 |
| Relative PSA | 0.051654 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| 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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