1,4-bis[(E)-3-phenylprop-2-enyl]piperazine
Formula:C22H26N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,4-bis[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1,4-bis[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C22H26N2 |
| Smiles | C(/C=C/c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C22H26N2/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-14H,15-20H2 |
| InChIK | LPEUKGZZZUTWAH-UHFFFAOYSA-N |
| TotalMolweight | 318.462 |
| Molweight | 318.462 |
| MonoisotopicMass | 318.209598 |
| CLogP | 4.3014 |
| CLogS | -3.056 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.68 |
| Relative PSA | 0.025754 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 6.5715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 15 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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