2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one
Formula:C15H18O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one is a drug-like molecule.
| MolName | 2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one |
| MolecularFormula | C15H18O |
| Smiles | O=C1C(C/C=C/c2ccccc2)CCCC1 |
| InChI | InChI=1S/C15H18O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,6-9,14H,4-5,10-12H2/t14-/m1/s1 |
| InChIK | FSTALRCSLSFKOP-CQSZACIVSA-N |
| TotalMolweight | 214.307 |
| Molweight | 214.307 |
| MonoisotopicMass | 214.135765 |
| CLogP | 3.8403 |
| CLogS | -3.772 |
| H Acceptors | 1 |
| TotalSurfaceArea | 185.31 |
| Relative PSA | 0.070369 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -9.459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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