cyclohexyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C20H28N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
cyclohexyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | cyclohexyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C20H28N2O |
| Smiles | O=C(C1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H28N2O/c23-20(19-11-5-2-6-12-19)22-16-14-21(15-17-22)13-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,19H,2,5-6,11-17H2 |
| InChIK | LMAFHJWDGCQNRE-UHFFFAOYSA-N |
| TotalMolweight | 312.455 |
| Molweight | 312.455 |
| MonoisotopicMass | 312.220163 |
| CLogP | 3.5229 |
| CLogS | -2.824 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.21 |
| Relative PSA | 0.077103 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 3.5723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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