2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
Formula:C21H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is a drug-like molecule.
| MolName | 2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone |
| MolecularFormula | C21H24N2O |
| Smiles | O=C(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C21H24N2O/c24-21(18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12H,13-18H2 |
| InChIK | FATMTRRBUGEQIZ-UHFFFAOYSA-N |
| TotalMolweight | 320.435 |
| Molweight | 320.435 |
| MonoisotopicMass | 320.188863 |
| CLogP | 3.6207 |
| CLogS | -2.633 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.93 |
| Relative PSA | 0.07545 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 7.9996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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