(E)-3-cyclohexyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C22H24O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-cyclohexyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-cyclohexyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C22H24O2 |
| Smiles | O=C(/C=C/C1CCCCC1)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H24O2/c23-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)24-17-19-11-5-2-6-12-19/h2,5-8,11-16,18H,1,3-4,9-10,17H2 |
| InChIK | GWHBAELYCNPWES-UHFFFAOYSA-N |
| TotalMolweight | 320.431 |
| Molweight | 320.431 |
| MonoisotopicMass | 320.17763 |
| CLogP | 4.8796 |
| CLogS | -5.279 |
| H Acceptors | 2 |
| TotalSurfaceArea | 268.83 |
| Relative PSA | 0.085705 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -4.8501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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