1-(1-benzofuran-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C22H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1-benzofuran-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-(1-benzofuran-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C22H24N2O |
| Smiles | C(/C=C/c1ccccc1)N1CCN(Cc2cc(cccc3)c3o2)CC1 |
| InChI | InChI=1S/C22H24N2O/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)18-21-17-20-10-4-5-11-22(20)25-21/h1-11,17H,12-16,18H2 |
| InChIK | GRQHCLYFVWOSMJ-UHFFFAOYSA-N |
| TotalMolweight | 332.446 |
| Molweight | 332.446 |
| MonoisotopicMass | 332.188863 |
| CLogP | 4.0458 |
| CLogS | -3.722 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.47 |
| Relative PSA | 0.077559 |
| PolarSurfaceArea | 19.62 |
| Druglikeness | 6.196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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