3-cyclohexyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Formula:C22H32N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-cyclohexyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one is a drug-like molecule.
| MolName | 3-cyclohexyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one |
| MolecularFormula | C22H32N2O |
| Smiles | O=C(CCC1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C22H32N2O/c25-22(14-13-21-10-5-2-6-11-21)24-18-16-23(17-19-24)15-7-12-20-8-3-1-4-9-20/h1,3-4,7-9,12,21H,2,5-6,10-11,13-19H2 |
| InChIK | DAIDMVFKPRTSJI-UHFFFAOYSA-N |
| TotalMolweight | 340.509 |
| Molweight | 340.509 |
| MonoisotopicMass | 340.251463 |
| CLogP | 4.4317 |
| CLogS | -3.364 |
| H Acceptors | 3 |
| TotalSurfaceArea | 288.73 |
| Relative PSA | 0.069754 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 3.0122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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