(E)-1-cyclohexyl-3-(3-hydroxycyclohexyl)prop-2-en-1-one
Formula:C15H24O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-cyclohexyl-3-(3-hydroxycyclohexyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-cyclohexyl-3-(3-hydroxycyclohexyl)prop-2-en-1-one |
| MolecularFormula | C15H24O2 |
| Smiles | OC(CCC1)CC1/C=C/C(C1CCCCC1)=O |
| InChI | InChI=1S/C15H24O2/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h9-10,12-14,16H,1-8,11H2 |
| InChIK | IKAWQSXBEAGLTD-UHFFFAOYSA-N |
| TotalMolweight | 236.354 |
| Molweight | 236.354 |
| MonoisotopicMass | 236.17763 |
| CLogP | 2.8713 |
| CLogS | -3.471 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.44 |
| Relative PSA | 0.13173 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -2.6663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-1-cyclohexyl-3-(3-hydroxycyclohexyl)prop-2-en-1-one | 2 - (E)-1-cyclohexyl-3-(3-hydroxycyclohexyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off