(E)-1-cyclohexyl-3-phenylprop-2-en-1-one
Formula:C15H18O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-cyclohexyl-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-cyclohexyl-3-phenylprop-2-en-1-one |
| MolecularFormula | C15H18O |
| Smiles | O=C(C1CCCCC1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2 |
| InChIK | MOYGKXMTXFAEKL-UHFFFAOYSA-N |
| TotalMolweight | 214.307 |
| Molweight | 214.307 |
| MonoisotopicMass | 214.135765 |
| CLogP | 3.4957 |
| CLogS | -3.772 |
| H Acceptors | 1 |
| TotalSurfaceArea | 185.31 |
| Relative PSA | 0.070369 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.2048 |
| 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 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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