(E)-1-(4-cyclohexylphenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
Formula:C21H20OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-cyclohexylphenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-cyclohexylphenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C21H20OCl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)c1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C21H20Cl2O/c22-19-12-6-15(14-20(19)23)7-13-21(24)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h6-14,16H,1-5H2 |
| InChIK | HVOQVGMMQMLTQV-UHFFFAOYSA-N |
| TotalMolweight | 359.295 |
| Molweight | 359.295 |
| MonoisotopicMass | 358.089119 |
| CLogP | 6.6526 |
| CLogS | -7.079 |
| H Acceptors | 1 |
| TotalSurfaceArea | 275.91 |
| Relative PSA | 0.047262 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.5655 |
| 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 | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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