(E)-1-(4-cyclohexylphenyl)-3-phenylprop-2-en-1-one
Formula:C21H22O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-cyclohexylphenyl)-3-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-cyclohexylphenyl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C21H22O |
| Smiles | O=C(/C=C/c1ccccc1)c1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C21H22O/c22-21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-16,18H,2,5-6,9-10H2 |
| InChIK | PSNXNXUTCMQGHA-UHFFFAOYSA-N |
| TotalMolweight | 290.405 |
| Molweight | 290.405 |
| MonoisotopicMass | 290.167065 |
| CLogP | 5.4406 |
| CLogS | -5.607 |
| H Acceptors | 1 |
| TotalSurfaceArea | 245.07 |
| Relative PSA | 0.053209 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.6481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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